2-[4-(1-methyl-5-nitro-pyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(1-methyl-5-nitro-pyrrol-2-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(1-methyl-5-nitro-pyrrole-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(1-methyl-5-nitropyrrole-2-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(1-methyl-5-nitro-pyrrole-2-carbonyl)piperazino]acetic acid Formula: C12H16N4O5 MolecularWeight: 296.27924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CN1C(=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C12H16N4O5/c1-13-9(2-3-10(13)16(20)21)12(19)15-6-4-14(5-7-15)8-11(17)18/h2-3H,4-8H2,1H3,(H,17,18)