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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-azanyl-5-chloranyl-benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-amino-5-chloro-benzoate CAS Name: 2-amino-5-chlorobenzoic 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-amino-5-chlorobenzoate Traditional Name: 2-amino-5-chloro-benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C16H11BrClN3O3 MolecularWeight: 408.63384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)N

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)N

InChI

InChI=1S/C16H11BrClN3O3/c17-9-1-4-14-20-11(6-15(22)21(14)7-9)8-24-16(23)12-5-10(18)2-3-13(12)19/h1-7H,8,19H2