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

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methoxybenzoate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-21(2,3)18-13-19(29-20(25)14-5-11-17(28-4)12-6-14)23(22-18)15-7-9-16(10-8-15)24(26)27/h5-13H,1-4H3