dimethyl 4-[2-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylbenzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[2-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylbenzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[2-[(3-nitrobenzoyl)amino]phenyl]sulfanylbenzene-1,2-dicarboxylate CAS Name: 4-[[2-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-[(3-nitrobenzoyl)amino]phenyl]sulfanylbenzene-1,2-dicarboxylate Traditional Name: 4-[[2-[(3-nitrobenzoyl)amino]phenyl]thio]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C23H18N2O7S MolecularWeight: 466.46322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)SC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)SC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H18N2O7S/c1-31-22(27)17-11-10-16(13-18(17)23(28)32-2)33-20-9-4-3-8-19(20)24-21(26)14-6-5-7-15(12-14)25(29)30/h3-13H,1-2H3,(H,24,26)