(2,6-dimethylphenyl) N'-(4-chlorophenyl)-N-cyano-carbamimidate

Systemtic Name: (2,6-dimethylphenyl) N'-(4-chlorophenyl)-N-cyano-carbamimidate Openeye Name: 3-(4-chlorophenyl)-1-cyano-2-(2,6-dimethylphenyl)isourea CAS Name: N'-(4-chlorophenyl)-N-cyanocarbamimidic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) N'-(4-chlorophenyl)-N-cyanocarbamimidate Traditional Name: 3-(4-chlorophenyl)-1-cyano-2-(2,6-dimethylphenyl)isourea Formula: C16H14ClN3O MolecularWeight: 299.75486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=NC2=CC=C(C=C2)Cl)NC#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=NC2=CC=C(C=C2)Cl)NC#N

InChI

InChI=1S/C16H14ClN3O/c1-11-4-3-5-12(2)15(11)21-16(19-10-18)20-14-8-6-13(17)7-9-14/h3-9H,1-2H3,(H,19,20)