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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-ethoxy-3-nitro-benzamide Formula: C19H19ClN2O6 MolecularWeight: 406.81696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O6/c1-2-26-16-5-4-13(10-15(16)22(24)25)19(23)21-11-12-8-14(20)18-17(9-12)27-6-3-7-28-18/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,21,23)