[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-(4-acetylanilino)-4-oxo-butanoate CAS Name: 4-(4-acetylanilino)-4-oxobutanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate Traditional Name: 4-(4-acetylanilino)-4-keto-butyric acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H19NO7/c1-13(23)14-2-5-16(6-3-14)22-20(25)8-9-21(26)27-11-17(24)15-4-7-18-19(10-15)29-12-28-18/h2-7,10H,8-9,11-12H2,1H3,(H,22,25)