(2S)-2-(1-adamantylcarbonyl)-3-(6-chloranyl-1,3-benzodioxol-5-yl)cyclopropane-1,1-dicarbonitrile

Systemtic Name: (2S)-2-(1-adamantylcarbonyl)-3-(6-chloranyl-1,3-benzodioxol-5-yl)cyclopropane-1,1-dicarbonitrile Openeye Name: (2S)-2-(adamantane-1-carbonyl)-3-(6-chloro-1,3-benzodioxol-5-yl)cyclopropane-1,1-dicarbonitrile CAS Name: (2S)-2-[1-adamantyl(oxo)methyl]-3-(6-chloro-1,3-benzodioxol-5-yl)cyclopropane-1,1-dicarbonitrile IUPAC Name: (2S)-2-(adamantane-1-carbonyl)-3-(6-chloro-1,3-benzodioxol-5-yl)cyclopropane-1,1-dicarbonitrile Traditional Name: (2S)-2-(adamantane-1-carbonyl)-3-(6-chloro-1,3-benzodioxol-5-yl)cyclopropane-1,1-dicarbonitrile Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C4(C#N)C#N)C5=CC6=C(C=C5Cl)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4C(C4(C#N)C#N)C5=CC6=C(C=C5Cl)OCO6

InChI

InChI=1S/C23H21ClN2O3/c24-16-5-18-17(28-11-29-18)4-15(16)19-20(23(19,9-25)10-26)21(27)22-6-12-1-13(7-22)3-14(2-12)8-22/h4-5,12-14,19-20H,1-3,6-8,11H2/t12?,13?,14?,19?,20-,22?/m1/s1