2-chloranyl-4-methyl-6-[(4-methylphenyl)sulfonylmethyl]-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-methyl-6-[(4-methylphenyl)sulfonylmethyl]-3,5-dinitro-benzenecarbonitrile Openeye Name: 2-chloro-4-methyl-3,5-dinitro-6-(p-tolylsulfonylmethyl)benzonitrile CAS Name: 2-chloro-4-methyl-6-[(4-methylphenyl)sulfonylmethyl]-3,5-dinitrobenzonitrile IUPAC Name: 2-chloro-4-methyl-6-[(4-methylphenyl)sulfonylmethyl]-3,5-dinitrobenzonitrile Traditional Name: 2-chloro-4-methyl-3,5-dinitro-6-(tosylmethyl)benzonitrile Formula: C16H12ClN3O6S MolecularWeight: 409.80098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(=C(C(=C2[N+](=O)[O-])C)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(=C(C(=C2[N+](=O)[O-])C)[N+](=O)[O-])Cl)C#N

InChI

InChI=1S/C16H12ClN3O6S/c1-9-3-5-11(6-4-9)27(25,26)8-13-12(7-18)14(17)16(20(23)24)10(2)15(13)19(21)22/h3-6H,8H2,1-2H3