5-[4-cyano-2-(oxiran-2-ylmethoxy)phenyl]pyridine-3-carboxylic acid

Systemtic Name: 5-[4-cyano-2-(oxiran-2-ylmethoxy)phenyl]pyridine-3-carboxylic acid Openeye Name: 5-[4-cyano-2-(oxiran-2-ylmethoxy)phenyl]pyridine-3-carboxylic acid CAS Name: 5-[4-cyano-2-(2-oxiranylmethoxy)phenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[4-cyano-2-(oxiran-2-ylmethoxy)phenyl]pyridine-3-carboxylic acid Traditional Name: 5-(4-cyano-2-glycidoxy-phenyl)nicotinic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)COC2=C(C=CC(=C2)C#N)C3=CC(=CN=C3)C(=O)O

Isomeric SMILES

C1C(O1)COC2=C(C=CC(=C2)C#N)C3=CC(=CN=C3)C(=O)O

InChI

InChI=1S/C16H12N2O4/c17-5-10-1-2-14(15(3-10)22-9-13-8-21-13)11-4-12(16(19)20)7-18-6-11/h1-4,6-7,13H,8-9H2,(H,19,20)