6-(2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl)-7,8-bis(oxidanylidene)-1,2,3,4-tetrahydroquinoline-2,4-dicarboxylate

Systemtic Name: 6-(2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl)-7,8-bis(oxidanylidene)-1,2,3,4-tetrahydroquinoline-2,4-dicarboxylate Openeye Name: 6-(2-azaniumyl-3-oxido-3-oxo-propyl)-7,8-dioxo-1,2,3,4-tetrahydroquinoline-2,4-dicarboxylate CAS Name: 6-(2-ammonio-3-oxido-3-oxopropyl)-7,8-dioxo-1,2,3,4-tetrahydroquinoline-2,4-dicarboxylate IUPAC Name: 6-(2-azaniumyl-3-oxido-3-oxopropyl)-7,8-dioxo-1,2,3,4-tetrahydroquinoline-2,4-dicarboxylate Traditional Name: 6-(2-ammonio-3-keto-3-oxido-propyl)-7,8-diketo-1,2,3,4-tetrahydroquinoline-2,4-dicarboxylate Formula: C14H12N2O8-2 MolecularWeight: 336.25368

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C(=O)C(=O)C(=C2)CC(C(=O)[O-])[NH3+])NC1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C(C2=C(C(=O)C(=O)C(=C2)CC(C(=O)[O-])[NH3+])NC1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H14N2O8/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/h1,6-8,16H,2-3,15H2,(H,19,20)(H,21,22)(H,23,24)/p-2