dimethyl 5-[(2-chloranyl-3,5-dinitro-phenyl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-chloranyl-3,5-dinitro-phenyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-chloro-3,5-dinitro-benzoyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-chloro-3,5-dinitrophenyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-chloro-3,5-dinitrobenzoyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-chloro-3,5-dinitro-benzoyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H12ClN3O9 MolecularWeight: 437.74488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H12ClN3O9/c1-29-16(23)8-3-9(17(24)30-2)5-10(4-8)19-15(22)12-6-11(20(25)26)7-13(14(12)18)21(27)28/h3-7H,1-2H3,(H,19,22)