(E)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-tosyl-acrylonitrile Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6S/c1-12-4-6-14(7-5-12)27(23,24)15(11-19)8-13-9-17(25-2)18(26-3)10-16(13)20(21)22/h4-10H,1-3H3/b15-8+