2-[(1-cyclopropyl-4-nitro-pyrrol-2-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(1-cyclopropyl-4-nitro-pyrrol-2-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(1-cyclopropyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(1-cyclopropyl-4-nitropyrrole-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)amino]-3-methyl-butyric acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=CN1C2CC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=CN1C2CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-7(2)11(13(18)19)14-12(17)10-5-9(16(20)21)6-15(10)8-3-4-8/h5-8,11H,3-4H2,1-2H3,(H,14,17)(H,18,19)