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

Systemtic Name: (3R)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2COC3=CC=CC=C3O2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)[C@H]2COC3=CC=CC=C3O2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N2O7/c1-25-16-9-12(13(21(23)24)10-17(16)26-2)7-8-20-19(22)18-11-27-14-5-3-4-6-15(14)28-18/h3-6,9-10,18H,7-8,11H2,1-2H3,(H,20,22)/t18-/m1/s1