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

Systemtic Name: 3-methylbutyl 1-(3-nitrophenyl)-5-phenyl-4-(phenylcarbonyl)pyrazole-3-carboxylate Openeye Name: isopentyl 4-benzoyl-1-(3-nitrophenyl)-5-phenyl-pyrazole-3-carboxylate CAS Name: 4-benzoyl-1-(3-nitrophenyl)-5-phenyl-3-pyrazolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-benzoyl-1-(3-nitrophenyl)-5-phenylpyrazole-3-carboxylate Traditional Name: 4-benzoyl-1-(3-nitrophenyl)-5-phenyl-pyrazole-3-carboxylic acid isoamyl ester Formula: C28H25N3O5 MolecularWeight: 483.5152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O5/c1-19(2)16-17-36-28(33)25-24(27(32)21-12-7-4-8-13-21)26(20-10-5-3-6-11-20)30(29-25)22-14-9-15-23(18-22)31(34)35/h3-15,18-19H,16-17H2,1-2H3