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

Systemtic Name: 2-[(4-nitro-1-propan-2-yl-pyrrol-2-yl)carbonylamino]pentanoic acid Openeye Name: 2-[(1-isopropyl-4-nitro-pyrrole-2-carbonyl)amino]pentanoic acid CAS Name: 2-[[(4-nitro-1-propan-2-yl-2-pyrrolyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[(4-nitro-1-propan-2-ylpyrrole-2-carbonyl)amino]pentanoic acid Traditional Name: 2-[(1-isopropyl-4-nitro-pyrrole-2-carbonyl)amino]valeric acid Formula: C13H19N3O5 MolecularWeight: 297.30706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C1=CC(=CN1C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)O)NC(=O)C1=CC(=CN1C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O5/c1-4-5-10(13(18)19)14-12(17)11-6-9(16(20)21)7-15(11)8(2)3/h6-8,10H,4-5H2,1-3H3,(H,14,17)(H,18,19)