5-methyl-4-(2-methylsulfonyl-4-nitro-phenyl)cyclohexa-3,5-diene-1,3-dicarbonitrile

Systemtic Name: 5-methyl-4-(2-methylsulfonyl-4-nitro-phenyl)cyclohexa-3,5-diene-1,3-dicarbonitrile Openeye Name: 5-methyl-4-(2-methylsulfonyl-4-nitro-phenyl)cyclohexa-3,5-diene-1,3-dicarbonitrile CAS Name: 5-methyl-4-(2-methylsulfonyl-4-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarbonitrile IUPAC Name: 5-methyl-4-(2-methylsulfonyl-4-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarbonitrile Traditional Name: 4-(2-mesyl-4-nitro-phenyl)-5-methyl-cyclohexa-3,5-diene-1,3-dicarbonitrile Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(CC(=C1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C)C#N)C#N

Isomeric SMILES

CC1=CC(CC(=C1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C)C#N)C#N

InChI

InChI=1S/C16H13N3O4S/c1-10-5-11(8-17)6-12(9-18)16(10)14-4-3-13(19(20)21)7-15(14)24(2,22)23/h3-5,7,11H,6H2,1-2H3