methyl (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]acrylic acid methyl ester Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=C(C#N)C(=O)OC)C)CN2C=NC=N2

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=C(\C#N)/C(=O)OC)C)CN2C=NC=N2

InChI

InChI=1S/C16H16N4O2/c1-11-4-13(6-14(7-17)16(21)22-3)12(2)15(5-11)8-20-10-18-9-19-20/h4-6,9-10H,8H2,1-3H3/b14-6+