phenyl N-cyano-N'-(2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamimidate

Systemtic Name: phenyl N-cyano-N'-(2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamimidate Openeye Name: 1-cyano-3-(3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-phenyl-isourea CAS Name: N-cyano-N'-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamimidate Traditional Name: 1-cyano-3-(3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-phenyl-isourea Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC=CC=C2O1)N=C(NC#N)OC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=CC=CC=C2O1)N=C(NC#N)OC3=CC=CC=C3)O)C

InChI

InChI=1S/C19H19N3O3/c1-19(2)17(23)16(14-10-6-7-11-15(14)25-19)22-18(21-12-20)24-13-8-4-3-5-9-13/h3-11,16-17,23H,1-2H3,(H,21,22)