[4-(4-nitrophenoxy)phenyl]methyl 2-acetamido-5-bromanyl-benzoate

Systemtic Name: [4-(4-nitrophenoxy)phenyl]methyl 2-acetamido-5-bromanyl-benzoate Openeye Name: [4-(4-nitrophenoxy)phenyl]methyl 2-acetamido-5-bromo-benzoate CAS Name: 2-acetamido-5-bromobenzoic acid [4-(4-nitrophenoxy)phenyl]methyl ester IUPAC Name: [4-(4-nitrophenoxy)phenyl]methyl 2-acetamido-5-bromobenzoate Traditional Name: 2-acetamido-5-bromo-benzoic acid [4-(4-nitrophenoxy)benzyl] ester Formula: C22H17BrN2O6 MolecularWeight: 485.28418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OCC2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OCC2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17BrN2O6/c1-14(26)24-21-11-4-16(23)12-20(21)22(27)30-13-15-2-7-18(8-3-15)31-19-9-5-17(6-10-19)25(28)29/h2-12H,13H2,1H3,(H,24,26)