(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic 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 (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C17H14ClNO7 MolecularWeight: 379.74856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C17H14ClNO7/c18-13-8-11(9-14-17(13)24-7-1-6-23-14)10-25-16(20)5-3-12-2-4-15(26-12)19(21)22/h2-5,8-9H,1,6-7,10H2/b5-3+