ethyl 2-[3-methyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-methyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-1,2,4-triazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(4-isopropylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate CAS Name: 2-[3-methyl-5-oxo-4-(4-propan-2-ylphenyl)-1,2,4-triazol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-methyl-5-oxo-4-(4-propan-2-ylphenyl)-1,2,4-triazol-1-yl]acetate Traditional Name: 2-(5-keto-3-methyl-4-p-cumenyl-1,2,4-triazol-1-yl)acetic acid ethyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C16H21N3O3/c1-5-22-15(20)10-18-16(21)19(12(4)17-18)14-8-6-13(7-9-14)11(2)3/h6-9,11H,5,10H2,1-4H3