(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloranyl-3-nitro-benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C16H9BrClN3O5 MolecularWeight: 438.61676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)[N+](=O)[O-])Cl

InChI

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