3,3-dimethyl-5-[[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3,3-dimethyl-5-[[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3,3-dimethyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-5-oxo-pentanoate CAS Name: 3,3-dimethyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-5-oxopentanoate IUPAC Name: 3,3-dimethyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-5-oxopentanoate Traditional Name: 5-keto-3,3-dimethyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]valerate Formula: C16H19N4O3- MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC=CC(=C1)C2=NN=CN2C)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)NC1=CC=CC(=C1)C2=NN=CN2C)CC(=O)[O-]

InChI

InChI=1S/C16H20N4O3/c1-16(2,9-14(22)23)8-13(21)18-12-6-4-5-11(7-12)15-19-17-10-20(15)3/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,22,23)/p-1