5-[(2-cyanoaziridin-1-yl)methyl]-6-methoxy-1-oxidanidyl-pyridin-1-ium-2-carboxylic acid

Systemtic Name: 5-[(2-cyanoaziridin-1-yl)methyl]-6-methoxy-1-oxidanidyl-pyridin-1-ium-2-carboxylic acid Openeye Name: 5-[(2-cyanoaziridin-1-yl)methyl]-6-methoxy-1-oxido-pyridin-1-ium-2-carboxylic acid CAS Name: 5-[(2-cyano-1-aziridinyl)methyl]-6-methoxy-1-oxido-2-pyridin-1-iumcarboxylic acid IUPAC Name: 5-[(2-cyanoaziridin-1-yl)methyl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxylic acid Traditional Name: 5-[(2-cyanoethylenimin-1-yl)methyl]-6-methoxy-1-oxido-pyridin-1-ium-2-carboxylic acid Formula: C11H11N3O4 MolecularWeight: 249.22274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=[N+]1[O-])C(=O)O)CN2CC2C#N

Isomeric SMILES

COC1=C(C=CC(=[N+]1[O-])C(=O)O)CN2CC2C#N

InChI

InChI=1S/C11H11N3O4/c1-18-10-7(5-13-6-8(13)4-12)2-3-9(11(15)16)14(10)17/h2-3,8H,5-6H2,1H3,(H,15,16)