[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] 4-methyl-3-nitro-benzoate Openeye Name: [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [5-tert-butyl-2-(4-chlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c1-13-5-6-14(11-17(13)25(27)28)20(26)29-19-12-18(21(2,3)4)23-24(19)16-9-7-15(22)8-10-16/h5-12H,1-4H3