(E)-3-[4-[methyl(phenyl)amino]-3-nitro-phenyl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-[methyl(phenyl)amino]-3-nitro-phenyl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(N-methylanilino)-3-nitro-phenyl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-[4-(N-methylanilino)-3-nitrophenyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-[4-(N-methylanilino)-3-nitrophenyl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-2-mesyl-3-[4-(N-methylanilino)-3-nitro-phenyl]acrylonitrile Formula: C17H15N3O4S MolecularWeight: 357.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=C(C=C(C=C2)C=C(C#N)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c1-19(14-6-4-3-5-7-14)16-9-8-13(11-17(16)20(21)22)10-15(12-18)25(2,23)24/h3-11H,1-2H3/b15-10+