2-[(1-ethyl-4-nitro-pyrrol-2-yl)carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(1-ethyl-4-nitro-pyrrol-2-yl)carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]-3-methyl-pentanoic acid CAS Name: 2-[[(1-ethyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]-3-methylpentanoic acid Traditional Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]-3-methyl-valeric acid Formula: C13H19N3O5 MolecularWeight: 297.30706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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