[2-acetyloxy-4-[(E)-2-cyano-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-[(E)-2-cyano-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]phenyl] ethanoate Openeye Name: [2-acetoxy-4-[(E)-2-cyano-2-(5-methyl-1H-1,2,4-triazol-3-yl)vinyl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[(E)-2-cyano-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[(E)-2-cyano-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[(E)-2-cyano-2-(5-methyl-1H-1,2,4-triazol-3-yl)vinyl]phenyl] ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)C(=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C#N

Isomeric SMILES

CC1=NC(=NN1)/C(=C/C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)/C#N

InChI

InChI=1S/C16H14N4O4/c1-9-18-16(20-19-9)13(8-17)6-12-4-5-14(23-10(2)21)15(7-12)24-11(3)22/h4-7H,1-3H3,(H,18,19,20)/b13-6+