8-[[3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(3-nitrophenyl)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-keto-2-(3-nitrophenyl)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C26H18N2O6S MolecularWeight: 486.49592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)NC3=CC(=CC=C3)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)NC3=CC(=CC=C3)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=CC=C2)C(=O)O

InChI

InChI=1S/C26H18N2O6S/c29-23(17-7-1-9-19(13-17)28(33)34)15-35-20-10-4-8-18(14-20)27-25(30)21-11-2-5-16-6-3-12-22(24(16)21)26(31)32/h1-14H,15H2,(H,27,30)(H,31,32)