3-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]butanoic acid

Systemtic Name: 3-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 3-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 3-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 3-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]butyric acid Formula: C10H13N3O5 MolecularWeight: 255.22732

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC=C(N1C)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC=C(N1C)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O5/c1-6(5-9(14)15)11-10(16)7-3-4-8(12(7)2)13(17)18/h3-4,6H,5H2,1-2H3,(H,11,16)(H,14,15)