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

Systemtic Name: 3-[(4-nitro-1-propan-2-yl-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 3-[(1-isopropyl-4-nitro-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 3-[[(4-nitro-1-propan-2-yl-2-pyrrolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(4-nitro-1-propan-2-ylpyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 3-[(1-isopropyl-4-nitro-pyrrole-2-carbonyl)amino]butyric acid Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)NC(C)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)NC(C)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5/c1-7(2)14-6-9(15(19)20)5-10(14)12(18)13-8(3)4-11(16)17/h5-8H,4H2,1-3H3,(H,13,18)(H,16,17)