2-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C11H15N3O5S MolecularWeight: 301.3189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O5S/c1-13-8(3-4-9(13)14(18)19)10(15)12-7(11(16)17)5-6-20-2/h3-4,7H,5-6H2,1-2H3,(H,12,15)(H,16,17)