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

Systemtic Name: 4-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-phosphonooxy-propan-2-yl)amino]pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Openeye Name: 5-[[2-hydroxy-2-oxo-1-(phosphonooxymethyl)ethyl]amino]-4-oxo-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid CAS Name: 5-[(1-hydroxy-1-oxo-3-phosphonooxypropan-2-yl)amino]-4-oxopyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid IUPAC Name: 5-[(1-hydroxy-1-oxo-3-phosphonooxypropan-2-yl)amino]-4-oxopyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Traditional Name: 5-[[2-hydroxy-2-keto-1-(phosphonooxymethyl)ethyl]amino]-4-keto-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Formula: C17H12N3O13P MolecularWeight: 497.263241

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C3C(=CC(=NC3=C(C2=O)NC(COP(=O)(O)O)C(=O)O)C(=O)O)C(=O)O)N=C1C(=O)O

Isomeric SMILES

C1=C2C(=C3C(=CC(=NC3=C(C2=O)NC(COP(=O)(O)O)C(=O)O)C(=O)O)C(=O)O)N=C1C(=O)O

InChI

InChI=1S/C17H12N3O13P/c21-13-5-2-7(16(26)27)18-10(5)9-4(14(22)23)1-6(15(24)25)19-11(9)12(13)20-8(17(28)29)3-33-34(30,31)32/h1-2,8,20H,3H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H2,30,31,32)