[2,6-bis(bromanyl)-4-ethyl-phenyl] 4-nitrobenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-ethyl-phenyl] 4-nitrobenzoate Openeye Name: (2,6-dibromo-4-ethyl-phenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2,6-dibromo-4-ethylphenyl) ester IUPAC Name: (2,6-dibromo-4-ethylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2,6-dibromo-4-ethyl-phenyl) ester Formula: C15H11Br2NO4 MolecularWeight: 429.06014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)Br)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=CC(=C(C(=C1)Br)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C15H11Br2NO4/c1-2-9-7-12(16)14(13(17)8-9)22-15(19)10-3-5-11(6-4-10)18(20)21/h3-8H,2H2,1H3