N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H13N3O5/c18-13(10-3-5-12(6-4-10)17(21)22)8-15-14(19)11-2-1-7-16(20)9-11/h1-7,9,13,18H,8H2,(H,15,19)