methyl 2-[[6-azanyl-3,5-dicyano-4-(cyanomethyl)pyridin-2-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-azanyl-3,5-dicyano-4-(cyanomethyl)pyridin-2-yl]amino]benzoate Openeye Name: methyl 2-[[6-amino-3,5-dicyano-4-(cyanomethyl)-2-pyridyl]amino]benzoate CAS Name: 2-[[6-amino-3,5-dicyano-4-(cyanomethyl)-2-pyridinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-2-yl]amino]benzoate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(cyanomethyl)-2-pyridyl]amino]benzoic acid methyl ester Formula: C17H12N6O2 MolecularWeight: 332.31618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=C(C(=N2)N)C#N)CC#N)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=C(C(=N2)N)C#N)CC#N)C#N

InChI

InChI=1S/C17H12N6O2/c1-25-17(24)11-4-2-3-5-14(11)22-16-13(9-20)10(6-7-18)12(8-19)15(21)23-16/h2-5H,6H2,1H3,(H3,21,22,23)