4-[[4-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]anilino]butyric acid Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C19H19N3O6S/c1-12-2-5-14(22(27)28)10-16(12)21-18(24)11-29-15-6-3-13(4-7-15)20-17(23)8-9-19(25)26/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,24)(H,25,26)