2-(4-bromanyl-6-nitro-3-oxidanyl-2-prop-2-enyl-phenyl)ethanenitrile

Systemtic Name: 2-(4-bromanyl-6-nitro-3-oxidanyl-2-prop-2-enyl-phenyl)ethanenitrile Openeye Name: 2-(2-allyl-4-bromo-3-hydroxy-6-nitro-phenyl)acetonitrile CAS Name: 2-(4-bromo-3-hydroxy-6-nitro-2-prop-2-enylphenyl)acetonitrile IUPAC Name: 2-(4-bromo-3-hydroxy-6-nitro-2-prop-2-enylphenyl)acetonitrile Traditional Name: 2-(2-allyl-4-bromo-3-hydroxy-6-nitro-phenyl)acetonitrile Formula: C11H9BrN2O3 MolecularWeight: 297.10476

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C(=CC(=C1O)Br)[N+](=O)[O-])CC#N

Isomeric SMILES

C=CCC1=C(C(=CC(=C1O)Br)[N+](=O)[O-])CC#N

InChI

InChI=1S/C11H9BrN2O3/c1-2-3-8-7(4-5-13)10(14(16)17)6-9(12)11(8)15/h2,6,15H,1,3-4H2