5-[(2-cyanoaziridin-1-yl)methyl]-6-ethoxy-pyridine-2-carboxylic acid

Systemtic Name: 5-[(2-cyanoaziridin-1-yl)methyl]-6-ethoxy-pyridine-2-carboxylic acid Openeye Name: 5-[(2-cyanoaziridin-1-yl)methyl]-6-ethoxy-pyridine-2-carboxylic acid CAS Name: 5-[(2-cyano-1-aziridinyl)methyl]-6-ethoxy-2-pyridinecarboxylic acid IUPAC Name: 5-[(2-cyanoaziridin-1-yl)methyl]-6-ethoxypyridine-2-carboxylic acid Traditional Name: 5-[(2-cyanoethylenimin-1-yl)methyl]-6-ethoxy-picolinic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=N1)C(=O)O)CN2CC2C#N

Isomeric SMILES

CCOC1=C(C=CC(=N1)C(=O)O)CN2CC2C#N

InChI

InChI=1S/C12H13N3O3/c1-2-18-11-8(6-15-7-9(15)5-13)3-4-10(14-11)12(16)17/h3-4,9H,2,6-7H2,1H3,(H,16,17)