dimethyl 5-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-chloro-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H11ClN4O7 MolecularWeight: 382.71274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C14H11ClN4O7/c1-25-13(21)6-3-7(14(22)26-2)5-8(4-6)16-12(20)10-9(15)11(18-17-10)19(23)24/h3-5H,1-2H3,(H,16,20)(H,17,18)