[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methyl-3-nitro-benzoate Openeye Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-phenyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C18H12F3N3O4 MolecularWeight: 391.30079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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