[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=CN2C)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=CN2C)C(=O)C

InChI

InChI=1S/C17H17N3O6/c1-10-6-13(20(24)25)4-5-14(10)18-16(22)9-26-17(23)15-7-12(11(2)21)8-19(15)3/h4-8H,9H2,1-3H3,(H,18,22)