phenyl N-cyano-N'-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamimidate

Systemtic Name: phenyl N-cyano-N'-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamimidate Openeye Name: 1-cyano-3-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-phenyl-isourea CAS Name: N-cyano-N'-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamimidate Traditional Name: 1-cyano-3-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-phenyl-isourea Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)OC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)OC3=CC=CC=C3)O)C

InChI

InChI=1S/C20H18N4O3/c1-20(2)18(25)17(15-10-13(11-21)8-9-16(15)27-20)24-19(23-12-22)26-14-6-4-3-5-7-14/h3-10,17-18,25H,1-2H3,(H,23,24)