(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H12BrNO7 MolecularWeight: 410.17298

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C=CC3=CC=C(O3)Br)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)/C=C/C3=CC=C(O3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrNO7/c17-14-3-1-13(25-14)2-4-15(19)23-8-11-6-12(18(20)21)5-10-7-22-9-24-16(10)11/h1-6H,7-9H2/b4-2+