butyl 4-[2,4-bis(oxidanylidene)-1H-pyrimido[4,5-b]quinolin-10-ium-10-yl]benzoate

Systemtic Name: butyl 4-[2,4-bis(oxidanylidene)-1H-pyrimido[4,5-b]quinolin-10-ium-10-yl]benzoate Openeye Name: butyl 4-(2,4-dioxo-1H-pyrimido[4,5-b]quinolin-10-ium-10-yl)benzoate CAS Name: 4-(2,4-dioxo-1H-pyrimido[4,5-b]quinolin-10-ium-10-yl)benzoic acid butyl ester IUPAC Name: butyl 4-(2,4-dioxo-1H-pyrimido[4,5-b]quinolin-10-ium-10-yl)benzoate Traditional Name: 4-(2,4-diketo-1H-pyrimido[4,5-b]quinolin-10-ium-10-yl)benzoic acid butyl ester Formula: C22H20N3O4+ MolecularWeight: 390.4119

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)[N+]2=C3C(=CC4=CC=CC=C42)C(=O)NC(=O)N3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)[N+]2=C3C(=CC4=CC=CC=C42)C(=O)NC(=O)N3

InChI

InChI=1S/C22H19N3O4/c1-2-3-12-29-21(27)14-8-10-16(11-9-14)25-18-7-5-4-6-15(18)13-17-19(25)23-22(28)24-20(17)26/h4-11,13H,2-3,12H2,1H3,(H,24,26,28)/p+1