N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O8/c1-25-15-8-12(16(21(23)24)18(27-3)17(15)26-2)19(22)20-9-11-10-28-13-6-4-5-7-14(13)29-11/h4-8,11H,9-10H2,1-3H3,(H,20,22)/t11-/m0/s1