(3-nitrophenyl) 4-(2-phenoxyethoxy)benzoate

Systemtic Name: (3-nitrophenyl) 4-(2-phenoxyethoxy)benzoate Openeye Name: (3-nitrophenyl) 4-(2-phenoxyethoxy)benzoate CAS Name: 4-(2-phenoxyethoxy)benzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-(2-phenoxyethoxy)benzoate Traditional Name: 4-(2-phenoxyethoxy)benzoic acid (3-nitrophenyl) ester Formula: C21H17NO6 MolecularWeight: 379.36278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO6/c23-21(28-20-8-4-5-17(15-20)22(24)25)16-9-11-19(12-10-16)27-14-13-26-18-6-2-1-3-7-18/h1-12,15H,13-14H2