(3S,4R)-4-[[(E)-1-cyanoprop-1-en-2-yl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-4-[[(E)-1-cyanoprop-1-en-2-yl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-4-[[(E)-2-cyano-1-methyl-vinyl]amino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3S,4R)-4-[[(E)-1-cyanoprop-1-en-2-yl]amino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-4-[[(E)-1-cyanoprop-1-en-2-yl]amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-4-[[(E)-2-cyano-1-methyl-vinyl]amino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#N)NC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O

Isomeric SMILES

C/C(=C\C#N)/N[C@H]1[C@@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O

InChI

InChI=1S/C16H17N3O2/c1-10(6-7-17)19-14-12-8-11(9-18)4-5-13(12)21-16(2,3)15(14)20/h4-6,8,14-15,19-20H,1-3H3/b10-6+/t14-,15+/m1/s1