4-[[3-(3-methyl-5-nitro-imidazol-4-yl)sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(3-methyl-5-nitro-imidazol-4-yl)sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(3-methyl-5-nitro-imidazol-4-yl)sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[3-[(3-methyl-5-nitro-4-imidazolyl)thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-(3-methyl-5-nitroimidazol-4-yl)sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-[(3-methyl-5-nitro-imidazol-4-yl)thio]anilino]butyric acid Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=CC=CC(=C2)NC(=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=CC=CC(=C2)NC(=O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5S/c1-17-8-15-13(18(22)23)14(17)24-10-4-2-3-9(7-10)16-11(19)5-6-12(20)21/h2-4,7-8H,5-6H2,1H3,(H,16,19)(H,20,21)