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

Systemtic Name: 5-[1-(4-ethoxyphenyl)-2-nitro-propyl]-1,3-benzodioxole Openeye Name: 5-[1-(4-ethoxyphenyl)-2-nitro-propyl]-1,3-benzodioxole CAS Name: 5-[1-(4-ethoxyphenyl)-2-nitropropyl]-1,3-benzodioxole IUPAC Name: 5-[1-(4-ethoxyphenyl)-2-nitropropyl]-1,3-benzodioxole Traditional Name: 5-(2-nitro-1-p-phenetyl-propyl)-1,3-benzodioxole Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)C(C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)C(C)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO5/c1-3-22-15-7-4-13(5-8-15)18(12(2)19(20)21)14-6-9-16-17(10-14)24-11-23-16/h4-10,12,18H,3,11H2,1-2H3