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

Systemtic Name: N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[3,5-bis(trifluoromethyl)-1-pyrazolyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-nitro-benzamide Formula: C18H10F6N4O3 MolecularWeight: 444.287419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H10F6N4O3/c19-17(20,21)14-9-15(18(22,23)24)27(26-14)12-7-3-11(4-8-12)25-16(29)10-1-5-13(6-2-10)28(30)31/h1-9H,(H,25,29)