(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic 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 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H11BrN2O5 MolecularWeight: 403.18364

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C17H11BrN2O5/c18-11-2-4-15-19-12(6-16(21)20(15)7-11)8-23-17(22)10-1-3-13-14(5-10)25-9-24-13/h1-7H,8-9H2