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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-nitrophenyl)ethanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic 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-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H12BrN3O5 MolecularWeight: 418.19828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O5/c18-12-5-6-15-19-13(8-16(22)20(15)9-12)10-26-17(23)7-11-3-1-2-4-14(11)21(24)25/h1-6,8-9H,7,10H2