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

C₁₁H₁₁NO₄CAS 953-26-4221.21 g/mol

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Alkene Ester Nitro

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 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

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-aminophenyl)-2-propenoate5048-82-860 % similar Ethyl (E)-4-methoxycinnamate24393-56-459 % similar Ethyl 4-nitrobenzoate99-77-457 % similar 4-Nitrocinnamic acid619-89-655 % similar trans-4-Nitrocinnamic acid882-06-455 % similar Ethyl p-nitrophenylacetate5445-26-154 % similar

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

Same formula

2-Acetoacetylaminobenzoic acid35354-86-0 Ethyl m-nitrocinnamate5396-71-4

Elsewhere

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