2-phosphonooxyethyl 1-[7-acetamido-5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: 2-phosphonooxyethyl 1-[7-acetamido-5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: 2-phosphonooxyethyl 1-(7-acetamido-5,8-dioxo-2-quinolyl)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(7-acetamido-5,8-dioxo-2-quinolinyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid 2-phosphonooxyethyl ester IUPAC Name: 2-phosphonooxyethyl 1-(7-acetamido-5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(7-acetamido-5,8-diketo-2-quinolyl)-9H-$b-carboline-3-carboxylic acid 2-phosphonooxyethyl ester Formula: C25H19N4O9P MolecularWeight: 550.413521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=O)C2=C(C1=O)N=C(C=C2)C3=C4C(=CC(=N3)C(=O)OCCOP(=O)(O)O)C5=CC=CC=C5N4

Isomeric SMILES

CC(=O)NC1=CC(=O)C2=C(C1=O)N=C(C=C2)C3=C4C(=CC(=N3)C(=O)OCCOP(=O)(O)O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H19N4O9P/c1-12(30)26-18-11-20(31)14-6-7-17(28-22(14)24(18)32)23-21-15(13-4-2-3-5-16(13)27-21)10-19(29-23)25(33)37-8-9-38-39(34,35)36/h2-7,10-11,27H,8-9H2,1H3,(H,26,30)(H2,34,35,36)