(4-aminocarbonyl-2-nitro-phenyl)methyl 3-bromanyl-4-methoxy-benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-bromanyl-4-methoxy-benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C16H13BrN2O6 MolecularWeight: 409.18822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN2O6/c1-24-14-5-4-10(6-12(14)17)16(21)25-8-11-3-2-9(15(18)20)7-13(11)19(22)23/h2-7H,8H2,1H3,(H2,18,20)