N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-[3,5-bis(trifluoromethyl)-1-pyrazolyl]phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methyl-3-nitro-benzamide Formula: C19H12F6N4O3 MolecularWeight: 458.313999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H12F6N4O3/c1-10-13(3-2-4-14(10)29(31)32)17(30)26-11-5-7-12(8-6-11)28-16(19(23,24)25)9-15(27-28)18(20,21)22/h2-9H,1H3,(H,26,30)