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

Systemtic Name: ethyl (E)-2-cyano-3-[2,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CC(=C1C)CN2C=NC=N2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=CC(=C1C)CN2C=NC=N2)C)/C#N

InChI

InChI=1S/C17H18N4O2/c1-4-23-17(22)15(8-18)7-14-5-12(2)6-16(13(14)3)9-21-11-19-10-20-21/h5-7,10-11H,4,9H2,1-3H3/b15-7+