[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 3-nitrobenzoate

Systemtic Name: [5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 3-nitrobenzoate Openeye Name: [5-tert-butyl-2-(m-tolyl)pyrazol-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [5-tert-butyl-2-(m-tolyl)pyrazol-3-yl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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