methyl 2-[[5-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl]methoxy]benzoate

Systemtic Name: methyl 2-[[5-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl]methoxy]benzoate Openeye Name: methyl 2-[[5-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl]methoxy]benzoate CAS Name: 2-[[5-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]methoxy]benzoate Traditional Name: 2-[5-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-benzyl]oxybenzoic acid methyl ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)OC)COC2=CC=CC=C2C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)OC)COC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C21H19NO6/c1-25-18-9-8-14(10-15(12-22)20(23)26-2)11-16(18)13-28-19-7-5-4-6-17(19)21(24)27-3/h4-11H,13H2,1-3H3/b15-10+