[3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic 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] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C21H19NO7/c1-25-17-10-14(11-18(26-2)19(17)27-3)21(24)29-16-7-5-6-13(9-16)8-15(12-22)20(23)28-4/h5-11H,1-4H3/b15-8+