ethyl 5-(4-chlorophenyl)-1-(4-nitrophenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-1-(4-nitrophenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-5-hydroxy-1-[(4-nitrophenyl)-oxomethyl]-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-5-hydroxy-1-(4-nitrobenzoyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C19H16ClN3O6 MolecularWeight: 417.79984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN3O6/c1-2-29-18(25)16-11-19(26,13-5-7-14(20)8-6-13)22(21-16)17(24)12-3-9-15(10-4-12)23(27)28/h3-10,26H,2,11H2,1H3