[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 4-butylbenzoate

Systemtic Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 4-butylbenzoate Openeye Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [2-(4-nitrophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-phenylpyrazol-3-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4/c1-2-3-7-19-10-12-21(13-11-19)26(30)33-25-18-24(20-8-5-4-6-9-20)27-28(25)22-14-16-23(17-15-22)29(31)32/h4-6,8-18H,2-3,7H2,1H3