5-nitro-N-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]-2-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: 5-nitro-N-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: 2-benzyl-5-nitro-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-3-carboxamide CAS Name: 5-nitro-N-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-benzyl-5-nitro-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-3-carboxamide Traditional Name: 2-benzyl-N-[2-keto-4-(trifluoromethyl)chromen-7-yl]-5-nitro-pyrazole-3-carboxamide Formula: C21H13F3N4O5 MolecularWeight: 458.34693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

InChI

InChI=1S/C21H13F3N4O5/c22-21(23,24)15-9-19(29)33-17-8-13(6-7-14(15)17)25-20(30)16-10-18(28(31)32)26-27(16)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,25,30)