[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxylic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C17H18N4O7S MolecularWeight: 422.41242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7S/c22-16(19-12-3-5-13(6-4-12)21(24)25)11-28-17(23)15-9-14(10-18-15)29(26,27)20-7-1-2-8-20/h3-6,9-10,18H,1-2,7-8,11H2,(H,19,22)