[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C25H17N3O5 MolecularWeight: 439.41958

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C25H17N3O5/c29-22(15-8-9-23-21(11-15)28-24(30)14-32-23)13-33-25(31)17-12-20(19-7-3-4-10-26-19)27-18-6-2-1-5-16(17)18/h1-12H,13-14H2,(H,28,30)