(4-bromanyl-2,5-dimethoxy-phenyl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name: (4-bromanyl-2,5-dimethoxy-phenyl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (4-bromo-2,5-dimethoxy-phenyl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-bromo-2,5-dimethoxyphenyl)methyl ester IUPAC Name: (4-bromo-2,5-dimethoxyphenyl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-bromo-2,5-dimethoxy-benzyl) ester Formula: C17H16BrNO6 MolecularWeight: 410.21604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2OC)Br)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2OC)Br)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrNO6/c1-10-4-5-11(6-14(10)19(21)22)17(20)25-9-12-7-16(24-3)13(18)8-15(12)23-2/h4-8H,9H2,1-3H3