1-[1-[bis(azanyl)methylideneamino]-8-oxidanyl-4H-quinolin-5-yl]-2-oxidanyl-propane-1,2,3-tricarboxylate

Systemtic Name: 1-[1-[bis(azanyl)methylideneamino]-8-oxidanyl-4H-quinolin-5-yl]-2-oxidanyl-propane-1,2,3-tricarboxylate Openeye Name: 1-(1-guanidino-8-hydroxy-4H-quinolin-5-yl)-2-hydroxy-propane-1,2,3-tricarboxylate CAS Name: 1-[1-(diaminomethylideneamino)-8-hydroxy-4H-quinolin-5-yl]-2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-[1-(diaminomethylideneamino)-8-hydroxy-4H-quinolin-5-yl]-2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-(1-guanidino-8-hydroxy-4H-quinolin-5-yl)-2-hydroxy-propane-1,2,3-tricarboxylate Formula: C16H15N4O8-3 MolecularWeight: 391.3123

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN(C2=C(C=CC(=C21)C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O)O)N=C(N)N

Isomeric SMILES

C1C=CN(C2=C(C=CC(=C21)C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O)O)N=C(N)N

InChI

InChI=1S/C16H18N4O8/c17-15(18)19-20-5-1-2-8-7(3-4-9(21)12(8)20)11(13(24)25)16(28,14(26)27)6-10(22)23/h1,3-5,11,21,28H,2,6H2,(H,22,23)(H,24,25)(H,26,27)(H4,17,18,19)/p-3