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

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N3O6/c1-10(20)11-7-14(18(2)8-11)16(22)25-9-15(21)17-12-3-5-13(6-4-12)19(23)24/h3-8H,9H2,1-2H3,(H,17,21)