[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-pentylbenzoate

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-pentylbenzoate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C25H29N3O4/c1-5-6-7-8-18-9-11-19(12-10-18)24(29)32-23-17-22(25(2,3)4)26-27(23)20-13-15-21(16-14-20)28(30)31/h9-17H,5-8H2,1-4H3