[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C19H21N5O6 MolecularWeight: 415.39994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O6/c1-21-12-15(24(28)29)11-16(21)18(26)30-13-17(25)22-7-9-23(10-8-22)19(27)20-14-5-3-2-4-6-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,27)