[1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H16N2O8 MolecularWeight: 400.33894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C19H16N2O8/c1-10(18(23)12-3-5-13(6-4-12)20-11(2)22)29-19(24)14-7-16-17(28-9-27-16)8-15(14)21(25)26/h3-8,10H,9H2,1-2H3,(H,20,22)