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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])OC)Br

InChI

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