5-[1-(4-tert-butylphenyl)-2-nitro-propyl]-1,3-benzodioxole

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4/c1-13(21(22)23)19(14-5-8-16(9-6-14)20(2,3)4)15-7-10-17-18(11-15)25-12-24-17/h5-11,13,19H,12H2,1-4H3