5-[[1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanyl-4-oxidanylidene-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid

Systemtic Name: 5-[[1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanyl-4-oxidanylidene-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Openeye Name: 5-[(1-carboxy-4-hydroxy-4-oxo-butyl)amino]-5-hydroxy-4-oxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid CAS Name: 5-[(1,5-dihydroxy-1,5-dioxopentan-2-yl)amino]-5-hydroxy-4-oxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid IUPAC Name: 5-[(1,5-dihydroxy-1,5-dioxopentan-2-yl)amino]-5-hydroxy-4-oxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Traditional Name: 5-[(1-carboxy-4-hydroxy-4-keto-butyl)amino]-5-hydroxy-4-keto-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Formula: C19H15N3O12 MolecularWeight: 477.3353

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(C(C(=O)C3=C2NC(=C3)C(=O)O)(NC(CCC(=O)O)C(=O)O)O)N=C1C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C2=C(C(C(=O)C3=C2NC(=C3)C(=O)O)(NC(CCC(=O)O)C(=O)O)O)N=C1C(=O)O)C(=O)O

InChI

InChI=1S/C19H15N3O12/c23-10(24)2-1-7(16(28)29)22-19(34)13-11(5(15(26)27)3-9(21-13)18(32)33)12-6(14(19)25)4-8(20-12)17(30)31/h3-4,7,20,22,34H,1-2H2,(H,23,24)(H,26,27)(H,28,29)(H,30,31)(H,32,33)