Ethyl 3-(4-nitrophenyl)-2-propenoate

C11H11NO4CAS 953-26-4221.21 g/mol

Open in Covalent MOL file
OON+OO−
AlkeneEsterNitro

Properties

Molecular formula
C11H11NO4
Molar mass
221.21 g/mol
Exact mass
221.0688 Da
Melting point
138 °C
logP
2.17Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
953-26-4
SMILES
CCOC(=O)C=Cc1ccc([N+](=O)[O-])cc1
InChIKey
PFBQVGXIMLXCQB-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3

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Names and synonyms

8 names
  • 2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester
  • Cinnamic acid, p-nitro-, ethyl ester
  • Ethyl p-nitrocinnamate
  • Ethyl 4-nitrocinnamate
  • 3-(4-Nitrophenyl)acrylic acid ethyl ester
  • NSC 4697
  • NSC 636709
  • 3-(4-Nitrophenyl)-2-propenoic acid ethyl ester

Work with Ethyl 3-(4-nitrophenyl)-2-propenoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 3-(4-methylphenyl)-2-propenoate20511-20-062 % similar Ethyl cinnamate103-36-661 % similar Ethyl 3-(4-fluorophenyl)acrylate352-03-460 % similar Ethyl 3-(4-aminophenyl)-2-propenoate5048-82-860 % similar Ethyl methoxycinnamate24393-56-459 % similar Ethyl 4-bromomethylcinnamate60682-98-658 % similar Ethyl 4-nitrobenzoate99-77-457 % similar 4-Nitrocinnamic acid619-89-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-Benzyl (2-oxooxetan-3-YL)carbamate26054-60-4 N-(Acetoacetyl)anthranilic acid35354-86-0 (2E)-4-((4-Methoxyphenyl)amino)-4-oxo-2-butenoic acid37902-60-6 Ethyl m-nitrocinnamate5396-71-4 5,6-Dimethoxyindole-2-carboxylic acid88210-96-2

Elsewhere

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