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

Systemtic Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 3-nitrobenzoate Openeye Name: [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(3-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C18H12F3N3O4 MolecularWeight: 391.30079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F3N3O4/c1-11-4-2-6-13(8-11)23-16(10-15(22-23)18(19,20)21)28-17(25)12-5-3-7-14(9-12)24(26)27/h2-10H,1H3