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

Systemtic Name: (2-methanoyl-4-nitro-phenyl) 3-bromanyl-4-(2-methylpropoxy)benzoate Openeye Name: (2-formyl-4-nitro-phenyl) 3-bromo-4-isobutoxy-benzoate CAS Name: 3-bromo-4-(2-methylpropoxy)benzoic acid (2-formyl-4-nitrophenyl) ester IUPAC Name: (2-formyl-4-nitrophenyl) 3-bromo-4-(2-methylpropoxy)benzoate Traditional Name: 3-bromo-4-isobutoxy-benzoic acid (2-formyl-4-nitro-phenyl) ester Formula: C18H16BrNO6 MolecularWeight: 422.22674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O)Br

InChI

InChI=1S/C18H16BrNO6/c1-11(2)10-25-17-5-3-12(8-15(17)19)18(22)26-16-6-4-14(20(23)24)7-13(16)9-21/h3-9,11H,10H2,1-2H3