[4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-ethoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-ethoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)OCC)OC

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)OCC)OC

InChI

InChI=1S/C22H21NO6/c1-4-27-18-9-7-6-8-17(18)22(25)29-19-11-10-15(13-20(19)26-3)12-16(14-23)21(24)28-5-2/h6-13H,4-5H2,1-3H3/b16-12+