4-[cyanomethyl(phenyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[cyanomethyl(phenyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[N-(cyanomethyl)anilino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[N-(cyanomethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[N-(cyanomethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[N-(cyanomethyl)anilino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2/c1-20(2)19(24)18(16-12-14(13-22)8-9-17(16)25-20)23(11-10-21)15-6-4-3-5-7-15/h3-9,12,18-19,24H,11H2,1-2H3