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

Systemtic Name: [3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 2-ethoxybenzoate Openeye Name: [3-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [3-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]phenyl] ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO5/c1-3-25-19-11-6-5-10-18(19)21(24)27-17-9-7-8-15(13-17)12-16(14-22)20(23)26-4-2/h5-13H,3-4H2,1-2H3/b16-12+