(3-bromophenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrNO6/c18-13-3-1-2-11(6-13)9-23-17(20)5-4-12-7-15-16(25-10-24-15)8-14(12)19(21)22/h1-8H,9-10H2/b5-4+