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

Systemtic Name: (E)-3-(4-bromanyl-3-nitro-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(4-bromo-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(4-bromo-3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(4-bromo-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(4-bromo-3-nitro-phenyl)acrylonitrile Formula: C16H9BrN2O3 MolecularWeight: 357.15826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9BrN2O3/c17-14-7-6-11(9-15(14)19(21)22)8-13(10-18)16(20)12-4-2-1-3-5-12/h1-9H/b13-8+