methyl 2-(4-chlorophenyl)carbonyl-5-(4-nitrophenyl)-3-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 2-(4-chlorophenyl)carbonyl-5-(4-nitrophenyl)-3-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 2-(4-chlorobenzoyl)-3-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-3-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-chlorobenzoyl)-3-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate Traditional Name: 2-(4-chlorobenzoyl)-3-hydroxy-5-(4-nitrophenyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C18H14ClN3O6 MolecularWeight: 403.77326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=NN1C(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C1(CC(=NN1C(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H14ClN3O6/c1-28-17(24)18(25)10-15(11-4-8-14(9-5-11)22(26)27)20-21(18)16(23)12-2-6-13(19)7-3-12/h2-9,25H,10H2,1H3