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

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methylbenzoate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C21H21N3O4/c1-14-5-7-15(8-6-14)20(25)28-19-13-18(21(2,3)4)22-23(19)16-9-11-17(12-10-16)24(26)27/h5-13H,1-4H3