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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic 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-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H13BrClN3O4 MolecularWeight: 438.65982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)Cl)N

InChI

InChI=1S/C17H13BrClN3O4/c1-25-14-6-13(20)12(19)5-11(14)17(24)26-8-10-4-16(23)22-7-9(18)2-3-15(22)21-10/h2-7H,8,20H2,1H3