2-chloranyl-3-methyl-4-[(7S,8R)-1-methyl-7-oxidanyl-3-oxidanylidene-5,6,7,8-tetrahydropyrrolizin-2-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-3-methyl-4-[(7S,8R)-1-methyl-7-oxidanyl-3-oxidanylidene-5,6,7,8-tetrahydropyrrolizin-2-yl]benzenecarbonitrile Openeye Name: 2-chloro-4-[(7S,8R)-7-hydroxy-1-methyl-3-oxo-5,6,7,8-tetrahydropyrrolizin-2-yl]-3-methyl-benzonitrile CAS Name: 2-chloro-4-[(7S,8R)-7-hydroxy-1-methyl-3-oxo-5,6,7,8-tetrahydropyrrolizin-2-yl]-3-methylbenzonitrile IUPAC Name: 2-chloro-4-[(7S,8R)-7-hydroxy-1-methyl-3-oxo-5,6,7,8-tetrahydropyrrolizin-2-yl]-3-methylbenzonitrile Traditional Name: 2-chloro-4-[(7S,8R)-7-hydroxy-3-keto-1-methyl-5,6,7,8-tetrahydropyrrolizin-2-yl]-3-methyl-benzonitrile Formula: C16H15ClN2O2 MolecularWeight: 302.7555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C1C(CC2)O)C3=C(C(=C(C=C3)C#N)Cl)C

Isomeric SMILES

CC1=C(C(=O)N2[C@H]1[C@H](CC2)O)C3=C(C(=C(C=C3)C#N)Cl)C

InChI

InChI=1S/C16H15ClN2O2/c1-8-11(4-3-10(7-18)14(8)17)13-9(2)15-12(20)5-6-19(15)16(13)21/h3-4,12,15,20H,5-6H2,1-2H3/t12-,15+/m0/s1