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

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 2-nitrobenzoate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 2-nitrobenzoate Traditional Name: 2-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=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

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