(2-bromanyl-4-cyano-6-ethoxy-phenyl) (E)-3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-enoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) (E)-3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-enoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) (E)-3-(1-benzyltriazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-triazolyl]-2-propenoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) (E)-3-(1-benzyltriazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyltriazol-4-yl)acrylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C=CC2=CN(N=N2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)/C=C/C2=CN(N=N2)CC3=CC=CC=C3

InChI

InChI=1S/C21H17BrN4O3/c1-2-28-19-11-16(12-23)10-18(22)21(19)29-20(27)9-8-17-14-26(25-24-17)13-15-6-4-3-5-7-15/h3-11,14H,2,13H2,1H3/b9-8+