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

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 2-acetyloxybenzoate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C28H26N2O5 MolecularWeight: 470.51644

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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=C4OC(=O)C

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4OC(=O)C

InChI

InChI=1S/C28H26N2O5/c1-3-4-17-24-26(32)29(21-13-7-5-8-14-21)30(22-15-9-6-10-16-22)27(24)35-28(33)23-18-11-12-19-25(23)34-20(2)31/h5-16,18-19H,3-4,17H2,1-2H3