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

Systemtic Name: [3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3,4-dimethylbenzoate Openeye Name: [3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]phenyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [3-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)OC)C

InChI

InChI=1S/C20H17NO4/c1-13-7-8-16(9-14(13)2)20(23)25-18-6-4-5-15(11-18)10-17(12-21)19(22)24-3/h4-11H,1-3H3/b17-10+