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

Systemtic Name: methyl 2-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(3-carbamoyl-1-pyridin-1-iumyl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H15N4O4+ MolecularWeight: 339.3254

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O4/c1-25-17(24)10-4-5-12-13(7-10)19-14(20-16(12)23)9-21-6-2-3-11(8-21)15(18)22/h2-8H,9H2,1H3,(H2-,18,19,20,22,23)/p+1