dimethyl 5-[[4-(2,4-dinitrophenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(2,4-dinitrophenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(2,4-dinitrophenyl)sulfanyl-1-hydroxy-naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[(2,4-dinitrophenyl)thio]-1-hydroxy-2-naphthalenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-[(2,4-dinitrophenyl)thio]-1-hydroxy-2-naphthoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C27H19N3O10S MolecularWeight: 577.51886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O)C(=O)OC

InChI

InChI=1S/C27H19N3O10S/c1-39-26(33)14-9-15(27(34)40-2)11-16(10-14)28-25(32)20-13-23(18-5-3-4-6-19(18)24(20)31)41-22-8-7-17(29(35)36)12-21(22)30(37)38/h3-13,31H,1-2H3,(H,28,32)