(2-bromanyl-4,5-diethoxy-phenyl)methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C18H17BrClNO6 MolecularWeight: 458.68768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br)OCC

InChI

InChI=1S/C18H17BrClNO6/c1-3-25-16-7-11(14(19)9-17(16)26-4-2)10-27-18(22)13-6-5-12(21(23)24)8-15(13)20/h5-9H,3-4,10H2,1-2H3