(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H11N3O7 MolecularWeight: 369.28514

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CC(=O)N4C=CC=CC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CC(=O)N4C=CC=CC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O7/c21-16-5-10(18-15-3-1-2-4-19(15)16)8-25-17(22)11-6-13-14(27-9-26-13)7-12(11)20(23)24/h1-7H,8-9H2