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

Systemtic Name: 8-[[4-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[1-(4-nitroanilino)-1-oxopropan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-1-methyl-2-(4-nitroanilino)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C27H21N3O6S MolecularWeight: 515.53714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3O6S/c1-16(25(31)28-18-8-12-20(13-9-18)30(35)36)37-21-14-10-19(11-15-21)29-26(32)22-6-2-4-17-5-3-7-23(24(17)22)27(33)34/h2-16H,1H3,(H,28,31)(H,29,32)(H,33,34)