(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-nitrobenzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-nitrobenzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-nitrobenzoate CAS Name: 2-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 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C16H10BrN3O5 MolecularWeight: 404.1717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN3O5/c17-10-5-6-14-18-11(7-15(21)19(14)8-10)9-25-16(22)12-3-1-2-4-13(12)20(23)24/h1-8H,9H2