N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-methoxy-5-nitro-benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-methoxy-5-nitro-benzamide Formula: C19H20N2O6 MolecularWeight: 372.3719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N2O6/c1-12(13-4-6-17-18(10-13)27-9-3-8-26-17)20-19(22)15-11-14(21(23)24)5-7-16(15)25-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,22)