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

Systemtic Name: 2-[(1-ethyl-4-nitro-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(1-ethyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O5S/c1-3-14-7-8(15(19)20)6-10(14)11(16)13-9(12(17)18)4-5-21-2/h6-7,9H,3-5H2,1-2H3,(H,13,16)(H,17,18)