8-[[4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(4-nitroanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(4-nitroanilino)-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-2-(4-nitroanilino)-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C32H23N3O6S MolecularWeight: 577.60652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C32H23N3O6S/c36-30(26-10-4-8-20-9-5-11-27(28(20)26)32(38)39)33-23-14-18-25(19-15-23)42-29(21-6-2-1-3-7-21)31(37)34-22-12-16-24(17-13-22)35(40)41/h1-19,29H,(H,33,36)(H,34,37)(H,38,39)