N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-morpholino-3-nitro-benzamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC1

InChI

InChI=1S/C20H21N3O6/c24-20(21-15-3-5-18-19(13-15)29-9-1-8-28-18)14-2-4-16(17(12-14)23(25)26)22-6-10-27-11-7-22/h2-5,12-13H,1,6-11H2,(H,21,24)