phenyl N-cyano-N'-(3,3-dimethylbutan-2-yl)carbamimidate

Systemtic Name: phenyl N-cyano-N'-(3,3-dimethylbutan-2-yl)carbamimidate Openeye Name: 1-cyano-2-phenyl-3-(1,2,2-trimethylpropyl)isourea CAS Name: N-cyano-N'-(3,3-dimethylbutan-2-yl)carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-(3,3-dimethylbutan-2-yl)carbamimidate Traditional Name: 1-cyano-2-phenyl-3-(1,2,2-trimethylpropyl)isourea Formula: C14H19N3O MolecularWeight: 245.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)N=C(NC#N)OC1=CC=CC=C1

Isomeric SMILES

CC(C(C)(C)C)N=C(NC#N)OC1=CC=CC=C1

InChI

InChI=1S/C14H19N3O/c1-11(14(2,3)4)17-13(16-10-15)18-12-8-6-5-7-9-12/h5-9,11H,1-4H3,(H,16,17)