2-[(ethylazaniumyl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[(ethylazaniumyl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[(ethylammonio)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(ethylammonio)methyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[(ethylazaniumyl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(ethylammonio)methyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC[NH2+]CC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H13N3O3/c1-2-13-6-10-14-9-5-7(12(17)18)3-4-8(9)11(16)15-10/h3-5,13H,2,6H2,1H3,(H,17,18)(H,14,15,16)