[2-(4-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-nitrobenzoate

Systemtic Name: [2-(4-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-nitrobenzoate Openeye Name: [5-isopropyl-2-(p-tolyl)pyrazol-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(4-methylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-propan-2-ylpyrazol-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-isopropyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-13(2)18-12-19(22(21-18)16-8-4-14(3)5-9-16)27-20(24)15-6-10-17(11-7-15)23(25)26/h4-13H,1-3H3