[(E)-4-bromanyl-2-methyl-but-3-en-2-yl] 4-nitrobenzoate

Systemtic Name: [(E)-4-bromanyl-2-methyl-but-3-en-2-yl] 4-nitrobenzoate Openeye Name: [(E)-3-bromo-1,1-dimethyl-allyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-4-bromo-2-methylbut-3-en-2-yl] ester IUPAC Name: [(E)-4-bromo-2-methylbut-3-en-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-3-bromo-1,1-dimethyl-allyl] ester Formula: C12H12BrNO4 MolecularWeight: 314.13198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CBr)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO4/c1-12(2,7-8-13)18-11(15)9-3-5-10(6-4-9)14(16)17/h3-8H,1-2H3/b8-7+