(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(furan-2-ylcarbonylamino)benzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(furan-2-ylcarbonylamino)benzoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(furan-2-carbonylamino)benzoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]benzoic 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 2-(furan-2-carbonylamino)benzoate Traditional Name: 2-(2-furoylamino)benzoic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H15BrN3O5+ MolecularWeight: 469.2649

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H14BrN3O5/c22-13-7-8-18-23-14(10-19(26)25(18)11-13)12-30-21(28)15-4-1-2-5-16(15)24-20(27)17-6-3-9-29-17/h1-11H,12H2,(H,24,27,28)/p+1