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

Systemtic Name: methyl 2-[(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)methyl]pentanoate Openeye Name: methyl 2-[(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)methyl]pentanoate CAS Name: 2-[(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)methyl]pentanoic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)methyl]pentanoate Traditional Name: 2-[(3-keto-5-methyl-4-phenyl-1,2,4-triazolidin-1-yl)methyl]valeric acid methyl ester Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-4-8-13(15(20)22-3)11-18-12(2)19(16(21)17-18)14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3,(H,17,21)