diethyl 4-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methyl]-1H-pyrazole-3,5-dicarboxylate

Systemtic Name: diethyl 4-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methyl]-1H-pyrazole-3,5-dicarboxylate Openeye Name: diethyl 4-[(4-chloro-2-nitro-phenyl)-hydroxy-methyl]-1H-pyrazole-3,5-dicarboxylate CAS Name: 4-[(4-chloro-2-nitrophenyl)-hydroxymethyl]-1H-pyrazole-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[(4-chloro-2-nitrophenyl)-hydroxymethyl]-1H-pyrazole-3,5-dicarboxylate Traditional Name: 4-[(4-chloro-2-nitro-phenyl)-hydroxy-methyl]-1H-pyrazole-3,5-dicarboxylic acid diethyl ester Formula: C16H16ClN3O7 MolecularWeight: 397.76714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)C(=O)OCC)C(C2=C(C=C(C=C2)Cl)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)C(=O)OCC)C(C2=C(C=C(C=C2)Cl)[N+](=O)[O-])O

InChI

InChI=1S/C16H16ClN3O7/c1-3-26-15(22)12-11(13(19-18-12)16(23)27-4-2)14(21)9-6-5-8(17)7-10(9)20(24)25/h5-7,14,21H,3-4H2,1-2H3,(H,18,19)