(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1H-indazole-3-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1H-indazole-3-carboxylate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H12BrN4O3+ MolecularWeight: 400.20618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C17H11BrN4O3/c18-10-5-6-14-19-11(7-15(23)22(14)8-10)9-25-17(24)16-12-3-1-2-4-13(12)20-21-16/h1-8H,9H2,(H,20,21,24)/p+1