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

Systemtic Name: (2-nitrophenyl) 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: (2-nitrophenyl) 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-phenethyloxy-benzoic acid (2-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/c22-17-14-16(21(24)28-20-9-5-4-8-18(20)23(25)26)10-11-19(17)27-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2