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

Systemtic Name: dimethyl 5-[[4-(2-nitrophenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-hydroxy-4-(2-nitrophenyl)sulfanyl-naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-hydroxy-4-[(2-nitrophenyl)thio]-2-naphthalenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-hydroxy-4-(2-nitrophenyl)sulfanylnaphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-hydroxy-4-[(2-nitrophenyl)thio]-2-naphthoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C27H20N2O8S MolecularWeight: 532.5213

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H20N2O8S/c1-36-26(32)15-11-16(27(33)37-2)13-17(12-15)28-25(31)20-14-23(18-7-3-4-8-19(18)24(20)30)38-22-10-6-5-9-21(22)29(34)35/h3-14,30H,1-2H3,(H,28,31)