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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C16H15BrN2O6 MolecularWeight: 411.2041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C16H15BrN2O6/c1-23-14-6-10(11(17)7-15(14)24-2)8-25-16(20)9-3-4-12(18)13(5-9)19(21)22/h3-7H,8,18H2,1-2H3