5-[1-[4-(2-methylpropyl)phenyl]-2-nitro-propyl]-1,3-benzodioxole

Systemtic Name: 5-[1-[4-(2-methylpropyl)phenyl]-2-nitro-propyl]-1,3-benzodioxole Openeye Name: 5-[1-(4-isobutylphenyl)-2-nitro-propyl]-1,3-benzodioxole CAS Name: 5-[1-[4-(2-methylpropyl)phenyl]-2-nitropropyl]-1,3-benzodioxole IUPAC Name: 5-[1-[4-(2-methylpropyl)phenyl]-2-nitropropyl]-1,3-benzodioxole Traditional Name: 5-[1-(4-isobutylphenyl)-2-nitro-propyl]-1,3-benzodioxole Formula: C20H23NO4 MolecularWeight: 341.40092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)C(C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)C(C)[N+](=O)[O-]

InChI

InChI=1S/C20H23NO4/c1-13(2)10-15-4-6-16(7-5-15)20(14(3)21(22)23)17-8-9-18-19(11-17)25-12-24-18/h4-9,11,13-14,20H,10,12H2,1-3H3