ethyl 4-[2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenoxy]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenoxy]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenoxy]-3-oxo-butanoate CAS Name: 4-[2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenoxy]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenoxy]-3-oxobutanoate Traditional Name: 3-keto-4-[2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenoxy]butyric acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)COC1=CC=CC=C1C2=NC(=NN2C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CC(=O)COC1=CC=CC=C1C2=NC(=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O4/c1-3-27-20(26)13-17(25)14-28-19-12-8-7-11-18(19)21-22-15(2)23-24(21)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3