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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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