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

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-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 (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) (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 (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C19H13BrN2O7 MolecularWeight: 461.21972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C19H13BrN2O7/c1-2-26-17-6-11(9-21)5-13(20)19(17)29-18(23)4-3-12-7-15-16(28-10-27-15)8-14(12)22(24)25/h3-8H,2,10H2,1H3/b4-3+