[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C19H22N4O5 MolecularWeight: 386.40178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5/c1-14(28-19(25)17-12-16(23(26)27)13-20(17)2)18(24)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3/t14-/m0/s1