chempirical

Ethyl m-nitrocinnamate

C11H11NO4CAS 5396-71-4221.21 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
110 °C
logP
2.17Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
5396-71-4
SMILES
CCOC(=O)C=Cc1cccc([N+](=O)[O-])c1
InChIKey
QZEPRSLOWNHADS-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-8H,2H2,1H3

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Names and synonyms

6 names
  • 2-Propenoic acid, 3-(3-nitrophenyl)-, ethyl ester
  • Cinnamic acid, m-nitro-, ethyl ester
  • Ethyl 3-nitrocinnamate
  • 3-(3-Nitrophenyl)-2-propenoic acid ethyl ester
  • NSC 4346
  • 3-(3-Nitrophenyl)acrylic acid ethyl ester

Work with Ethyl m-nitrocinnamate

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 cinnamate103-36-660 % similar 3-(3-Nitrophenyl)-2-propenoic acid555-68-060 % similar Ethyl m-nitrobenzoate618-98-458 % similar Ethyl caffeate102-37-453 % similar Ethyl 3-nitro-β-oxobenzenepropanoate52119-38-753 % similar Ethyl 3-(4-methylphenyl)-2-propenoate20511-20-051 % similar Ethyl 3-(4-aminophenyl)-2-propenoate5048-82-850 % similar Ethyl (E)-4-methoxycinnamate24393-56-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Acetoacetylaminobenzoic acid35354-86-0 Ethyl 3-(4-nitrophenyl)-2-propenoate953-26-4

Elsewhere

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