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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=CC=C1)OC(=O)C2=CC(=C(C=C2)C)C)/C#N

InChI

InChI=1S/C21H19NO4/c1-4-25-20(23)18(13-22)11-16-6-5-7-19(12-16)26-21(24)17-9-8-14(2)15(3)10-17/h5-12H,4H2,1-3H3/b18-11+