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

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C18H18N2O7 MolecularWeight: 374.34472

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-24-16-7-12(13(20(22)23)8-17(16)25-2)18(21)19-9-11-10-26-14-5-3-4-6-15(14)27-11/h3-8,11H,9-10H2,1-2H3,(H,19,21)/t11-/m0/s1