5-chloranyl-6-[2-cyanoethyl(phenyl)amino]pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-[2-cyanoethyl(phenyl)amino]pyridine-3-carboxylate Openeye Name: 5-chloro-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylate CAS Name: 5-chloro-6-[N-(2-cyanoethyl)anilino]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[N-(2-cyanoethyl)anilino]nicotinate Formula: C15H11ClN3O2- MolecularWeight: 300.71974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C15H12ClN3O2/c16-13-9-11(15(20)21)10-18-14(13)19(8-4-7-17)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,8H2,(H,20,21)/p-1