[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C18H19ClN4O5 MolecularWeight: 406.82026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O5/c1-20-11-15(23(26)27)10-16(20)18(25)28-12-17(24)22-7-5-21(6-8-22)14-4-2-3-13(19)9-14/h2-4,9-11H,5-8,12H2,1H3