(6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-nitro-benzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-nitro-benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H12BrNO7 MolecularWeight: 410.17298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrNO7/c1-22-13-3-2-9(4-12(13)18(20)21)16(19)23-7-10-5-14-15(6-11(10)17)25-8-24-14/h2-6H,7-8H2,1H3