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

Systemtic Name: methyl 2-[(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)methyl]butanoate Openeye Name: methyl 2-[(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)methyl]butanoate CAS Name: 2-[(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)methyl]butanoic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)methyl]butanoate Traditional Name: 2-[(3-keto-5-methyl-4-phenyl-1,2,4-triazolidin-1-yl)methyl]butyric acid methyl ester Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(N(C(=O)N1)C2=CC=CC=C2)C)C(=O)OC

Isomeric SMILES

CCC(CN1C(N(C(=O)N1)C2=CC=CC=C2)C)C(=O)OC

InChI

InChI=1S/C15H21N3O3/c1-4-12(14(19)21-3)10-17-11(2)18(15(20)16-17)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,16,20)