[4-[6-oxidanyl-2-oxidanylidene-5-pyridin-3-ylcarbonyl-6-(trifluoromethyl)-1,3-diazinan-4-yl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[6-oxidanyl-2-oxidanylidene-5-pyridin-3-ylcarbonyl-6-(trifluoromethyl)-1,3-diazinan-4-yl]phenyl] 3-nitrobenzoate Openeye Name: [4-[6-hydroxy-2-oxo-5-(pyridine-3-carbonyl)-6-(trifluoromethyl)hexahydropyrimidin-4-yl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[6-hydroxy-2-oxo-5-[oxo(3-pyridinyl)methyl]-6-(trifluoromethyl)-1,3-diazinan-4-yl]phenyl] ester IUPAC Name: [4-[6-hydroxy-2-oxo-5-(pyridine-3-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[6-hydroxy-2-keto-5-nicotinoyl-6-(trifluoromethyl)hexahydropyrimidin-4-yl]phenyl] ester Formula: C24H17F3N4O7 MolecularWeight: 530.40959

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C3C(C(NC(=O)N3)(C(F)(F)F)O)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C3C(C(NC(=O)N3)(C(F)(F)F)O)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H17F3N4O7/c25-24(26,27)23(35)18(20(32)15-4-2-10-28-12-15)19(29-22(34)30-23)13-6-8-17(9-7-13)38-21(33)14-3-1-5-16(11-14)31(36)37/h1-12,18-19,35H,(H2,29,30,34)