[2-bromanyl-1-(4-nitrophenyl)ethyl] butanoate

Systemtic Name: [2-bromanyl-1-(4-nitrophenyl)ethyl] butanoate Openeye Name: [2-bromo-1-(4-nitrophenyl)ethyl] butanoate CAS Name: butanoic acid [2-bromo-1-(4-nitrophenyl)ethyl] ester IUPAC Name: [2-bromo-1-(4-nitrophenyl)ethyl] butanoate Traditional Name: butyric acid [2-bromo-1-(4-nitrophenyl)ethyl] ester Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO4/c1-2-3-12(15)18-11(8-13)9-4-6-10(7-5-9)14(16)17/h4-7,11H,2-3,8H2,1H3