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

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO5/c1-4-26-20(23)17(13-22)11-15-7-10-18(19(12-15)25-3)27-21(24)16-8-5-14(2)6-9-16/h5-12H,4H2,1-3H3/b17-11+