N-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-2-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: 2-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-pyrazole-3-carboxamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitropyrazole-3-carboxamide Traditional Name: 2-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-pyrazole-3-carboxamide Formula: C18H12ClF3N4O3 MolecularWeight: 424.76109

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H12ClF3N4O3/c19-13-7-6-12(18(20,21)22)8-14(13)23-17(27)15-9-16(26(28)29)24-25(15)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,23,27)