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

Systemtic Name: 3-methyl-2-[(4-nitro-1-propan-2-yl-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 2-[(1-isopropyl-4-nitro-pyrrole-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[(4-nitro-1-propan-2-yl-2-pyrrolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(4-nitro-1-propan-2-ylpyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 2-[(1-isopropyl-4-nitro-pyrrole-2-carbonyl)amino]-3-methyl-butyric acid Formula: C13H19N3O5 MolecularWeight: 297.30706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O5/c1-7(2)11(13(18)19)14-12(17)10-5-9(16(20)21)6-15(10)8(3)4/h5-8,11H,1-4H3,(H,14,17)(H,18,19)