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

Systemtic Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-tert-butylbenzoate Openeye Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [5-ethyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-5-17-14-20(24(23-17)18-10-12-19(13-11-18)25(27)28)29-21(26)15-6-8-16(9-7-15)22(2,3)4/h6-14H,5H2,1-4H3