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

Systemtic Name: [4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-ethylbenzoate Openeye Name: [4-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [4-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)OC)OC

InChI

InChI=1S/C21H19NO5/c1-4-14-5-8-16(9-6-14)21(24)27-18-10-7-15(12-19(18)25-2)11-17(13-22)20(23)26-3/h5-12H,4H2,1-3H3/b17-11+