methyl 3-(3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate

Systemtic Name: methyl 3-(3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate Openeye Name: methyl 3-(3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoate CAS Name: 3-(3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoate Traditional Name: 3-(3-keto-4-phenyl-1,2,4-triazolidin-1-yl)propionic acid methyl ester Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CN(C(=O)N1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCN1CN(C(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C12H15N3O3/c1-18-11(16)7-8-14-9-15(12(17)13-14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,17)