(E)-3-(4-bromanyl-3-nitro-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-bromanyl-3-nitro-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(4-bromo-3-nitrophenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(4-bromo-3-nitrophenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-tosyl-acrylonitrile Formula: C16H11BrN2O4S MolecularWeight: 407.23854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O4S/c1-11-2-5-13(6-3-11)24(22,23)14(10-18)8-12-4-7-15(17)16(9-12)19(20)21/h2-9H,1H3/b14-8+