N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(2-furylmethylamino)-2-oxo-ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(2-furanylmethylamino)-2-oxoethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-(2-furfurylamino)-2-keto-ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)NCC(=O)NCC2=CC=CO2

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)NCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C13H13N3O4/c17-12(14-7-11-4-2-6-20-11)8-15-13(18)10-3-1-5-16(19)9-10/h1-6,9H,7-8H2,(H,14,17)(H,15,18)