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

Systemtic Name: 2-methyl-2-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]pentanoic acid Openeye Name: 2-methyl-2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]pentanoic acid CAS Name: 2-methyl-2-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 2-methyl-2-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]pentanoic acid Traditional Name: 2-methyl-2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]valeric acid Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O5/c1-4-7-12(2,11(17)18)13-10(16)8-5-6-9(14(8)3)15(19)20/h5-6H,4,7H2,1-3H3,(H,13,16)(H,17,18)