8-[[3-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C29H25N3O6S MolecularWeight: 543.5903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C29H25N3O6S/c1-3-25(28(34)31-24-14-13-20(32(37)38)15-17(24)2)39-21-10-6-9-19(16-21)30-27(33)22-11-4-7-18-8-5-12-23(26(18)22)29(35)36/h4-16,25H,3H2,1-2H3,(H,30,33)(H,31,34)(H,35,36)