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

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5/c1-11-3-4-13(10-15(11)21(23)24)20-17(22)9-12-7-14(19)18-16(8-12)25-5-2-6-26-18/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,20,22)