2-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-3-(1-methylcyclopropyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-3-(1-methylcyclopropyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(2-chloro-3-methoxy-4-methylsulfonyl-benzoyl)-3-(1-methylcyclopropyl)-3-oxo-propanenitrile CAS Name: 2-[(2-chloro-3-methoxy-4-methylsulfonylphenyl)-oxomethyl]-3-(1-methylcyclopropyl)-3-oxopropanenitrile IUPAC Name: 2-(2-chloro-3-methoxy-4-methylsulfonylbenzoyl)-3-(1-methylcyclopropyl)-3-oxopropanenitrile Traditional Name: 2-(2-chloro-4-mesyl-3-methoxy-benzoyl)-3-keto-3-(1-methylcyclopropyl)propionitrile Formula: C16H16ClNO5S MolecularWeight: 369.81994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C(=O)C(C#N)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OC)Cl

Isomeric SMILES

CC1(CC1)C(=O)C(C#N)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OC)Cl

InChI

InChI=1S/C16H16ClNO5S/c1-16(6-7-16)15(20)10(8-18)13(19)9-4-5-11(24(3,21)22)14(23-2)12(9)17/h4-5,10H,6-7H2,1-3H3