N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methoxy-5-nitro-benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methoxy-5-nitro-benzamide Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

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