N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-nitrophenyl)methyl]-2-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-nitrophenyl)methyl]-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-nitrophenyl)methyl]-2-oxo-pyridine-3-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-nitrophenyl)methyl]-2-oxo-3-pyridinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-keto-1-(4-nitrobenzyl)nicotinamide Formula: C21H13F6N3O4 MolecularWeight: 485.336039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)C(=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C(=O)C(=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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