4-[[(2S)-1-oxidanidyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]azaniumyl]quinazoline-7-carboxylate

Systemtic Name: 4-[[(2S)-1-oxidanidyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]azaniumyl]quinazoline-7-carboxylate Openeye Name: 4-[[(1S)-1-(hydroxymethyl)-2-oxido-2-oxo-ethyl]ammonio]quinazoline-7-carboxylate CAS Name: 4-[[(2S)-3-hydroxy-1-oxido-1-oxopropan-2-yl]ammonio]-7-quinazolinecarboxylate IUPAC Name: 4-[[(2S)-3-hydroxy-1-oxido-1-oxopropan-2-yl]azaniumyl]quinazoline-7-carboxylate Traditional Name: 4-[[(1S)-2-keto-1-methylol-2-oxido-ethyl]ammonio]quinazoline-7-carboxylate Formula: C12H10N3O5- MolecularWeight: 276.2249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5/c16-4-9(12(19)20)15-10-7-2-1-6(11(17)18)3-8(7)13-5-14-10/h1-3,5,9,16H,4H2,(H,17,18)(H,19,20)(H,13,14,15)/p-1/t9-/m0/s1