butyl 1-(3-nitrophenyl)-5-phenyl-4-(phenylcarbonyl)pyrazole-3-carboxylate

Systemtic Name: butyl 1-(3-nitrophenyl)-5-phenyl-4-(phenylcarbonyl)pyrazole-3-carboxylate Openeye Name: butyl 4-benzoyl-1-(3-nitrophenyl)-5-phenyl-pyrazole-3-carboxylate CAS Name: 4-benzoyl-1-(3-nitrophenyl)-5-phenyl-3-pyrazolecarboxylic acid butyl ester IUPAC Name: butyl 4-benzoyl-1-(3-nitrophenyl)-5-phenylpyrazole-3-carboxylate Traditional Name: 4-benzoyl-1-(3-nitrophenyl)-5-phenyl-pyrazole-3-carboxylic acid butyl ester Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NN(C(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=NN(C(=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O5/c1-2-3-17-35-27(32)24-23(26(31)20-13-8-5-9-14-20)25(19-11-6-4-7-12-19)29(28-24)21-15-10-16-22(18-21)30(33)34/h4-16,18H,2-3,17H2,1H3