N2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanidyl-pyridin-1-ium-2,3-dicarboxamide

Systemtic Name: N2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanidyl-pyridin-1-ium-2,3-dicarboxamide Openeye Name: N2-(1,3-benzodioxol-5-ylmethyl)-1-oxido-pyridin-1-ium-2,3-dicarboxamide CAS Name: N2-(1,3-benzodioxol-5-ylmethyl)-1-oxidopyridin-1-ium-2,3-dicarboxamide IUPAC Name: 2-N-(1,3-benzodioxol-5-ylmethyl)-1-oxidopyridin-1-ium-2,3-dicarboxamide Traditional Name: 1-oxido-N-piperonyl-pyridin-1-ium-2,3-dicarboxamide Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC=[N+]3[O-])C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC=[N+]3[O-])C(=O)N

InChI

InChI=1S/C15H13N3O5/c16-14(19)10-2-1-5-18(21)13(10)15(20)17-7-9-3-4-11-12(6-9)23-8-22-11/h1-6H,7-8H2,(H2,16,19)(H,17,20)