(4-butyl-2-nitro-phenyl) 4-bromanylbenzoate

Systemtic Name: (4-butyl-2-nitro-phenyl) 4-bromanylbenzoate Openeye Name: (4-butyl-2-nitro-phenyl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (4-butyl-2-nitrophenyl) ester IUPAC Name: (4-butyl-2-nitrophenyl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (4-butyl-2-nitro-phenyl) ester Formula: C17H16BrNO4 MolecularWeight: 378.21724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrNO4/c1-2-3-4-12-5-10-16(15(11-12)19(21)22)23-17(20)13-6-8-14(18)9-7-13/h5-11H,2-4H2,1H3