[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C16H13N3O4/c1-10(23-16(21)11-6-8-19(22)9-7-11)14-17-13-5-3-2-4-12(13)15(20)18-14/h2-10H,1H3,(H,17,18,20)/t10-/m1/s1