(6-bromanyl-1,3-benzodioxol-5-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H12BrNO6 MolecularWeight: 406.18428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H12BrNO6/c18-14-8-16-15(24-10-25-16)7-12(14)9-23-17(20)6-3-11-1-4-13(5-2-11)19(21)22/h1-8H,9-10H2/b6-3+