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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-methyl-2-oxidanyl-benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic 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-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)O

InChI

InChI=1S/C17H13BrN2O4/c1-10-2-4-13(14(21)6-10)17(23)24-9-12-7-16(22)20-8-11(18)3-5-15(20)19-12/h2-8,21H,9H2,1H3