4-[(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]quinazoline-7-carboxylate

Systemtic Name: 4-[(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]quinazoline-7-carboxylate Openeye Name: 4-[(2-oxido-2-oxo-ethyl)ammonio]quinazoline-7-carboxylate CAS Name: 4-[(2-oxido-2-oxoethyl)ammonio]-7-quinazolinecarboxylate IUPAC Name: 4-[(2-oxido-2-oxoethyl)azaniumyl]quinazoline-7-carboxylate Traditional Name: 4-[(2-keto-2-oxido-ethyl)ammonio]quinazoline-7-carboxylate Formula: C11H8N3O4- MolecularWeight: 246.19892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)[O-])N=CN=C2[NH2+]CC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)[O-])N=CN=C2[NH2+]CC(=O)[O-]

InChI

InChI=1S/C11H9N3O4/c15-9(16)4-12-10-7-2-1-6(11(17)18)3-8(7)13-5-14-10/h1-3,5H,4H2,(H,15,16)(H,17,18)(H,12,13,14)/p-1