(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 4-nitrobenzoate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 4-nitrobenzoate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C26H23N3O5/c1-2-3-14-23-24(30)27(20-10-6-4-7-11-20)28(21-12-8-5-9-13-21)25(23)34-26(31)19-15-17-22(18-16-19)29(32)33/h4-13,15-18H,2-3,14H2,1H3