N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Traditional Name: N-homoveratryl-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC

InChI

InChI=1S/C19H20N2O7/c1-25-15-4-3-12(7-16(15)26-2)5-6-20-19(22)9-13-8-17-18(28-11-27-17)10-14(13)21(23)24/h3-4,7-8,10H,5-6,9,11H2,1-2H3,(H,20,22)