2-[4-(1-methyl-4-nitro-pyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(1-methyl-4-nitro-pyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(1-methyl-4-nitro-pyrrole-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(1-methyl-4-nitropyrrole-2-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(1-methyl-4-nitro-pyrrole-2-carbonyl)piperazino]acetic acid Formula: C12H16N4O5 MolecularWeight: 296.27924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O5/c1-13-7-9(16(20)21)6-10(13)12(19)15-4-2-14(3-5-15)8-11(17)18/h6-7H,2-5,8H2,1H3,(H,17,18)