6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-7,8-bis(oxidanylidene)quinoline-2,4-dicarboxylate

Systemtic Name: 6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-7,8-bis(oxidanylidene)quinoline-2,4-dicarboxylate Openeye Name: 6-(2-amino-3-hydroxy-3-oxo-propyl)-7,8-dioxo-quinoline-2,4-dicarboxylate CAS Name: 6-(2-amino-3-hydroxy-3-oxopropyl)-7,8-dioxoquinoline-2,4-dicarboxylate IUPAC Name: 6-(2-amino-3-hydroxy-3-oxopropyl)-7,8-dioxoquinoline-2,4-dicarboxylate Traditional Name: 6-(2-amino-3-hydroxy-3-keto-propyl)-7,8-diketo-quinoline-2,4-dicarboxylate Formula: C14H8N2O8-2 MolecularWeight: 332.22192

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)C(=O)C2=C1C(=CC(=N2)C(=O)[O-])C(=O)[O-])CC(C(=O)O)N

Isomeric SMILES

C1=C(C(=O)C(=O)C2=C1C(=CC(=N2)C(=O)[O-])C(=O)[O-])CC(C(=O)O)N

InChI

InChI=1S/C14H10N2O8/c15-7(13(21)22)2-4-1-5-6(12(19)20)3-8(14(23)24)16-9(5)11(18)10(4)17/h1,3,7H,2,15H2,(H,19,20)(H,21,22)(H,23,24)/p-2