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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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