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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic 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-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H10BrClN3O5+ MolecularWeight: 439.6247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)Cl

InChI

InChI=1S/C16H9BrClN3O5/c17-9-1-4-14-19-10(5-15(22)20(14)7-9)8-26-16(23)12-6-11(21(24)25)2-3-13(12)18/h1-7H,8H2/p+1