[4-[(Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H20N2O7 MolecularWeight: 472.4462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(/C#N)\C(=O)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C26H20N2O7/c1-31-20-7-4-17(5-8-20)26(30)35-22-9-3-16(12-23(22)32-2)11-18(14-27)25(29)28-19-6-10-21-24(13-19)34-15-33-21/h3-13H,15H2,1-2H3,(H,28,29)/b18-11-