methyl 4-oxidanylidene-2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(3-hydroxy-1-pyridin-1-iumyl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H14N3O4+ MolecularWeight: 312.30006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C16H13N3O4/c1-23-16(22)10-4-5-12-13(7-10)17-14(18-15(12)21)9-19-6-2-3-11(20)8-19/h2-8H,9H2,1H3,(H-,17,18,20,21)/p+1