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

Systemtic Name: [4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO5/c1-13-5-4-6-15(9-13)20(23)26-17-8-7-14(11-18(17)24-2)10-16(12-21)19(22)25-3/h4-11H,1-3H3/b16-10+