(3-nitrophenyl) 3-bromanyl-4-phenethyloxy-benzoate

Systemtic Name: (3-nitrophenyl) 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: (3-nitrophenyl) 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-phenethyloxy-benzoic acid (3-nitrophenyl) ester Formula: C21H16BrNO5 MolecularWeight: 442.25944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C21H16BrNO5/c22-19-13-16(21(24)28-18-8-4-7-17(14-18)23(25)26)9-10-20(19)27-12-11-15-5-2-1-3-6-15/h1-10,13-14H,11-12H2