methyl 4-bromanyl-5-ethoxy-2-nitro-3-oxidanyl-benzoate

Systemtic Name: methyl 4-bromanyl-5-ethoxy-2-nitro-3-oxidanyl-benzoate Openeye Name: methyl 4-bromo-5-ethoxy-3-hydroxy-2-nitro-benzoate CAS Name: 4-bromo-5-ethoxy-3-hydroxy-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-bromo-5-ethoxy-3-hydroxy-2-nitrobenzoate Traditional Name: 4-bromo-5-ethoxy-3-hydroxy-2-nitro-benzoic acid methyl ester Formula: C10H10BrNO6 MolecularWeight: 320.0935

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])O)Br

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])O)Br

InChI

InChI=1S/C10H10BrNO6/c1-3-18-6-4-5(10(14)17-2)8(12(15)16)9(13)7(6)11/h4,13H,3H2,1-2H3