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

Systemtic Name: 4-[[(2S)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]azaniumyl]quinazoline-7-carboxylate Openeye Name: 4-[[(1S)-1-methyl-2-oxido-2-oxo-ethyl]ammonio]quinazoline-7-carboxylate CAS Name: 4-[[(2S)-1-oxido-1-oxopropan-2-yl]ammonio]-7-quinazolinecarboxylate IUPAC Name: 4-[[(2S)-1-oxido-1-oxopropan-2-yl]azaniumyl]quinazoline-7-carboxylate Traditional Name: 4-[[(1S)-2-keto-1-methyl-2-oxido-ethyl]ammonio]quinazoline-7-carboxylate Formula: C12H10N3O4- MolecularWeight: 260.2255

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH2+]C1=NC=NC2=C1C=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=C1C=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-6(11(16)17)15-10-8-3-2-7(12(18)19)4-9(8)13-5-14-10/h2-6H,1H3,(H,16,17)(H,18,19)(H,13,14,15)/p-1/t6-/m0/s1