(3R,4S)-2,2-dimethyl-3-oxidanyl-4-(5-oxidanylidene-2-phenyl-pyrazol-1-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3R,4S)-2,2-dimethyl-3-oxidanyl-4-(5-oxidanylidene-2-phenyl-pyrazol-1-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(5-oxo-2-phenyl-pyrazol-1-yl)chromane-6-carbonitrile CAS Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(5-oxo-2-phenyl-1-pyrazolyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(5-oxo-2-phenylpyrazol-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-3-hydroxy-4-(5-keto-2-phenyl-3-pyrazolin-1-yl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C(=O)C=CN3C4=CC=CC=C4)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N3C(=O)C=CN3C4=CC=CC=C4)O)C

InChI

InChI=1S/C21H19N3O3/c1-21(2)20(26)19(16-12-14(13-22)8-9-17(16)27-21)24-18(25)10-11-23(24)15-6-4-3-5-7-15/h3-12,19-20,26H,1-2H3/t19-,20+/m0/s1