2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-methoxy-5-nitro-phenyl)ethanamide

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H17ClN2O6/c1-25-15-4-3-12(21(23)24)10-14(15)20-17(22)9-11-7-13(19)18-16(8-11)26-5-2-6-27-18/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,20,22)