dimethyl 5-[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-chloro-4-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-chloro-4-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-chloro-4-nitro-phenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H14ClN3O6S MolecularWeight: 423.82756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C17H14ClN3O6S/c1-26-15(22)9-5-10(16(23)27-2)7-11(6-9)19-17(28)20-14-4-3-12(21(24)25)8-13(14)18/h3-8H,1-2H3,(H2,19,20,28)