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

Systemtic Name: (3R,4S)-4-(3,4-dimethyl-5-oxidanylidene-2H-pyrrol-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-4-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3R,4S)-4-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-4-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-3-hydroxy-4-(2-keto-3,4-dimethyl-3-pyrrolin-1-yl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)C

Isomeric SMILES

CC1=C(C(=O)N(C1)[C@@H]2[C@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O)C

InChI

InChI=1S/C18H20N2O3/c1-10-9-20(17(22)11(10)2)15-13-7-12(8-19)5-6-14(13)23-18(3,4)16(15)21/h5-7,15-16,21H,9H2,1-4H3/t15-,16+/m0/s1