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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O)Br

InChI

InChI=1S/C18H16BrNO6/c1-2-3-8-25-17-6-4-12(10-15(17)19)18(22)26-16-7-5-14(20(23)24)9-13(16)11-21/h4-7,9-11H,2-3,8H2,1H3