methyl 4-[(E)-3-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(3-acetamidoanilino)-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(3-acetamidoanilino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(3-acetamidoanilino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[2-(3-acetamidoanilino)-2-keto-ethoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H20N2O6/c1-14(24)22-17-4-3-5-18(12-17)23-19(25)13-29-20(26)11-8-15-6-9-16(10-7-15)21(27)28-2/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)/b11-8+