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

Systemtic Name: [3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 2,6-dimethoxybenzoate Openeye Name: [3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]phenyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic 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] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [3-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OC

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C20H17NO6/c1-24-16-8-5-9-17(25-2)18(16)20(23)27-15-7-4-6-13(11-15)10-14(12-21)19(22)26-3/h4-11H,1-3H3/b14-10+