diethyl 5-[(4-nitrophenyl)-oxidanyl-methyl]-1,4-dihydropyrazole-3,5-dicarboxylate

Systemtic Name: diethyl 5-[(4-nitrophenyl)-oxidanyl-methyl]-1,4-dihydropyrazole-3,5-dicarboxylate Openeye Name: diethyl 5-[hydroxy-(4-nitrophenyl)methyl]-1,4-dihydropyrazole-3,5-dicarboxylate CAS Name: 5-[hydroxy-(4-nitrophenyl)methyl]-1,4-dihydropyrazole-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[hydroxy-(4-nitrophenyl)methyl]-1,4-dihydropyrazole-3,5-dicarboxylate Traditional Name: 3-[hydroxy-(4-nitrophenyl)methyl]-2-pyrazoline-3,5-dicarboxylic acid diethyl ester Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(C1)(C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=NNC(C1)(C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)OCC

InChI

InChI=1S/C16H19N3O7/c1-3-25-14(21)12-9-16(18-17-12,15(22)26-4-2)13(20)10-5-7-11(8-6-10)19(23)24/h5-8,13,18,20H,3-4,9H2,1-2H3