2-[(1-ethyl-4-nitro-pyrrol-2-yl)carbonylamino]pentanoic acid

Systemtic Name: 2-[(1-ethyl-4-nitro-pyrrol-2-yl)carbonylamino]pentanoic acid Openeye Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]pentanoic acid CAS Name: 2-[[(1-ethyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]pentanoic acid Traditional Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]valeric acid Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C1=CC(=CN1CC)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)O)NC(=O)C1=CC(=CN1CC)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5/c1-3-5-9(12(17)18)13-11(16)10-6-8(15(19)20)7-14(10)4-2/h6-7,9H,3-5H2,1-2H3,(H,13,16)(H,17,18)