2,6-dimethyl-N-(3-nitrophenyl)-1-oxidanidyl-4-propoxy-pyridin-1-ium-3-carboxamide

Systemtic Name: 2,6-dimethyl-N-(3-nitrophenyl)-1-oxidanidyl-4-propoxy-pyridin-1-ium-3-carboxamide Openeye Name: 2,6-dimethyl-N-(3-nitrophenyl)-1-oxido-4-propoxy-pyridin-1-ium-3-carboxamide CAS Name: 2,6-dimethyl-N-(3-nitrophenyl)-1-oxido-4-propoxy-3-pyridin-1-iumcarboxamide IUPAC Name: 2,6-dimethyl-N-(3-nitrophenyl)-1-oxido-4-propoxypyridin-1-ium-3-carboxamide Traditional Name: 2,6-dimethyl-N-(3-nitrophenyl)-1-oxido-4-propoxy-pyridin-1-ium-3-carboxamide Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C)[O-])C

Isomeric SMILES

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C)[O-])C

InChI

InChI=1S/C17H19N3O5/c1-4-8-25-15-9-11(2)19(22)12(3)16(15)17(21)18-13-6-5-7-14(10-13)20(23)24/h5-7,9-10H,4,8H2,1-3H3,(H,18,21)