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

Systemtic Name: 2-(4-bromanyl-3-methoxy-6-nitro-2-prop-2-enyl-phenyl)ethanenitrile Openeye Name: 2-(2-allyl-4-bromo-3-methoxy-6-nitro-phenyl)acetonitrile CAS Name: 2-(4-bromo-3-methoxy-6-nitro-2-prop-2-enylphenyl)acetonitrile IUPAC Name: 2-(4-bromo-3-methoxy-6-nitro-2-prop-2-enylphenyl)acetonitrile Traditional Name: 2-(2-allyl-4-bromo-3-methoxy-6-nitro-phenyl)acetonitrile Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1CC=C)CC#N)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C(=C1CC=C)CC#N)[N+](=O)[O-])Br

InChI

InChI=1S/C12H11BrN2O3/c1-3-4-9-8(5-6-14)11(15(16)17)7-10(13)12(9)18-2/h3,7H,1,4-5H2,2H3