4-oxidanylidene-5-(2-phosphonooxyethylideneamino)-1,6-dihydropyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid

Systemtic Name: 4-oxidanylidene-5-(2-phosphonooxyethylideneamino)-1,6-dihydropyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Openeye Name: 4-oxo-5-(2-phosphonooxyethylideneamino)-1,6-dihydropyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid CAS Name: 4-oxo-5-(2-phosphonooxyethylideneamino)-1,6-dihydropyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid IUPAC Name: 4-oxo-5-(2-phosphonooxyethylideneamino)-1,6-dihydropyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Traditional Name: 4-keto-5-(2-phosphonooxyethylideneamino)-1,6-dihydropyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Formula: C16H12N3O11P MolecularWeight: 453.253741

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC2=C1C(=O)C(=C3C2=C(C=C(N3)C(=O)O)C(=O)O)N=CCOP(=O)(O)O)C(=O)O

Isomeric SMILES

C1=C(NC2=C1C(=O)C(=C3C2=C(C=C(N3)C(=O)O)C(=O)O)N=CCOP(=O)(O)O)C(=O)O

InChI

InChI=1S/C16H12N3O11P/c20-13-6-4-8(16(25)26)18-10(6)9-5(14(21)22)3-7(15(23)24)19-11(9)12(13)17-1-2-30-31(27,28)29/h1,3-4,18-19H,2H2,(H,21,22)(H,23,24)(H,25,26)(H2,27,28,29)