N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-nitrophenyl)methyl]-6-oxo-pyridine-3-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-nitrophenyl)methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-6-keto-1-(4-nitrobenzyl)nicotinamide Formula: C21H13F6N3O4 MolecularWeight: 485.336039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H13F6N3O4/c22-20(23,24)14-7-15(21(25,26)27)9-16(8-14)28-19(32)13-3-6-18(31)29(11-13)10-12-1-4-17(5-2-12)30(33)34/h1-9,11H,10H2,(H,28,32)