[4-(4,4-dimethyl-3-oxidanylidene-pentyl)-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl] 4-nitrobenzoate

Systemtic Name: [4-(4,4-dimethyl-3-oxidanylidene-pentyl)-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl] 4-nitrobenzoate Openeye Name: [4-(4,4-dimethyl-3-oxo-pentyl)-5-oxo-1,2-diphenyl-pyrazol-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(4,4-dimethyl-3-oxopentyl)-5-oxo-1,2-diphenyl-3-pyrazolyl] ester IUPAC Name: [4-(4,4-dimethyl-3-oxopentyl)-5-oxo-1,2-diphenylpyrazol-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-keto-4-(3-keto-4,4-dimethyl-pentyl)-1,2-diphenyl-3-pyrazolin-3-yl] ester Formula: C29H27N3O6 MolecularWeight: 513.54118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H27N3O6/c1-29(2,3)25(33)19-18-24-26(34)30(21-10-6-4-7-11-21)31(22-12-8-5-9-13-22)27(24)38-28(35)20-14-16-23(17-15-20)32(36)37/h4-17H,18-19H2,1-3H3