(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-[(4-phenylphenyl)carbonylamino]ethanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-[(4-phenylphenyl)carbonylamino]ethanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-phenylphenyl)methyl]amino]acetic 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-[(4-phenylbenzoyl)amino]acetate Traditional Name: 2-[(4-phenylbenzoyl)amino]acetic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C24H19BrN3O4+ MolecularWeight: 493.32936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C24H18BrN3O4/c25-19-10-11-21-27-20(12-22(29)28(21)14-19)15-32-23(30)13-26-24(31)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-12,14H,13,15H2,(H,26,31)/p+1