N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-homoveratryl-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)OC

InChI

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