(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-nitrophenoxy)ethanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-nitrophenoxy)ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H16ClNO7 MolecularWeight: 393.77514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C18H16ClNO7/c19-15-8-12(9-16-18(15)25-7-1-6-24-16)10-27-17(21)11-26-14-4-2-13(3-5-14)20(22)23/h2-5,8-9H,1,6-7,10-11H2