8-[[4-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[1-methyl-2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[1-(2-methyl-4-nitroanilino)-1-oxopropan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[1-(2-methyl-4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-1-methyl-2-(2-methyl-4-nitro-anilino)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H23N3O6S MolecularWeight: 529.56372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C28H23N3O6S/c1-16-15-20(31(36)37)11-14-24(16)30-26(32)17(2)38-21-12-9-19(10-13-21)29-27(33)22-7-3-5-18-6-4-8-23(25(18)22)28(34)35/h3-15,17H,1-2H3,(H,29,33)(H,30,32)(H,34,35)