[(E)-2-bromanyltridec-2-enyl] 4-nitrobenzoate

Systemtic Name: [(E)-2-bromanyltridec-2-enyl] 4-nitrobenzoate Openeye Name: [(E)-2-bromotridec-2-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-2-bromotridec-2-enyl] ester IUPAC Name: [(E)-2-bromotridec-2-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-2-bromotridec-2-enyl] ester Formula: C20H28BrNO4 MolecularWeight: 426.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=C(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])Br

Isomeric SMILES

CCCCCCCCCC/C=C(\COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/Br

InChI

InChI=1S/C20H28BrNO4/c1-2-3-4-5-6-7-8-9-10-11-18(21)16-26-20(23)17-12-14-19(15-13-17)22(24)25/h11-15H,2-10,16H2,1H3/b18-11+