[3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 2,4,6-trimethylbenzoate

Systemtic Name: [3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 2,4,6-trimethylbenzoate Openeye Name: [3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]phenyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic 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] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [3-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4/c1-13-8-14(2)19(15(3)9-13)21(24)26-18-7-5-6-16(11-18)10-17(12-22)20(23)25-4/h5-11H,1-4H3/b17-10+