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

Systemtic Name: 3,3-dimethyl-2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[(1-methyl-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)(C)C(C(=O)O)NC(=O)C1=CC(=CN1C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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