[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C18H16N2O8 MolecularWeight: 388.32824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H16N2O8/c1-10(28-18(22)11-3-5-15-16(7-11)27-9-26-15)17(21)19-13-8-12(20(23)24)4-6-14(13)25-2/h3-8,10H,9H2,1-2H3,(H,19,21)