(4-bromanyl-2-chloranyl-phenyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (4-bromo-2-chloro-phenyl) (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 (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) (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 (4-bromo-2-chloro-phenyl) ester Formula: C16H9BrClNO6 MolecularWeight: 426.60276

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OC3=C(C=C(C=C3)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OC3=C(C=C(C=C3)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H9BrClNO6/c17-10-2-3-13(11(18)6-10)25-16(20)4-1-9-5-14-15(24-8-23-14)7-12(9)19(21)22/h1-7H,8H2/b4-1+