[4-[(E)-2-cyano-3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] propanoate

Systemtic Name: [4-[(E)-2-cyano-3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] propanoate Openeye Name: [4-[(E)-3-(4-acetylanilino)-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] propanoate CAS Name: propanoic acid [4-[(E)-3-(4-acetylanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-acetylanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] propanoate Traditional Name: propionic acid [4-[(E)-3-(4-acetylanilino)-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)C)OCC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)C)OCC

InChI

InChI=1S/C23H22N2O5/c1-4-22(27)30-20-11-6-16(13-21(20)29-5-2)12-18(14-24)23(28)25-19-9-7-17(8-10-19)15(3)26/h6-13H,4-5H2,1-3H3,(H,25,28)/b18-12+