(2-methanoyl-4-nitro-phenyl) 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: (2-methanoyl-4-nitro-phenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (2-formyl-4-nitro-phenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid (2-formyl-4-nitrophenyl) ester IUPAC Name: (2-formyl-4-nitrophenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (2-formyl-4-nitro-phenyl) ester Formula: C20H20BrNO6 MolecularWeight: 450.2799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O)Br

InChI

InChI=1S/C20H20BrNO6/c1-2-3-4-5-10-27-19-8-6-14(12-17(19)21)20(24)28-18-9-7-16(22(25)26)11-15(18)13-23/h6-9,11-13H,2-5,10H2,1H3