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

Systemtic Name: 2-[(1-ethyl-4-nitro-pyrrol-2-yl)carbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[(1-ethyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]-3,3-dimethyl-butyric acid Formula: C13H19N3O5 MolecularWeight: 297.30706

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)NC(C(=O)O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=C1C(=O)NC(C(=O)O)C(C)(C)C)[N+](=O)[O-]

InChI

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