N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-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)OCCO3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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