1-butyl-4-[1-(4-ethoxyphenyl)-2-nitro-propyl]benzene

Systemtic Name: 1-butyl-4-[1-(4-ethoxyphenyl)-2-nitro-propyl]benzene Openeye Name: 1-butyl-4-[1-(4-ethoxyphenyl)-2-nitro-propyl]benzene CAS Name: 1-butyl-4-[1-(4-ethoxyphenyl)-2-nitropropyl]benzene IUPAC Name: 1-butyl-4-[1-(4-ethoxyphenyl)-2-nitropropyl]benzene Traditional Name: 1-butyl-4-(2-nitro-1-p-phenetyl-propyl)benzene Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-4-6-7-17-8-10-18(11-9-17)21(16(3)22(23)24)19-12-14-20(15-13-19)25-5-2/h8-16,21H,4-7H2,1-3H3