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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-iodanyl-aniline Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-iodo-aniline CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-iodoaniline IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-iodoaniline Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(3-iodophenyl)amine Formula: C16H15ClINO2 MolecularWeight: 415.65327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=CC(=CC=C3)I)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=CC(=CC=C3)I)Cl)OC1

InChI

InChI=1S/C16H15ClINO2/c17-14-7-11(8-15-16(14)21-6-2-5-20-15)10-19-13-4-1-3-12(18)9-13/h1,3-4,7-9,19H,2,5-6,10H2