N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-morpholino-3-nitro-benzamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC[C@@H]3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c24-20(21-12-15-13-28-18-3-1-2-4-19(18)29-15)14-5-6-16(17(11-14)23(25)26)22-7-9-27-10-8-22/h1-6,11,15H,7-10,12-13H2,(H,21,24)/t15-/m1/s1