dimethyl 2-[(3-phenyl-1,2,3-triazol-4-yl)methyl]propanedioate

Systemtic Name: dimethyl 2-[(3-phenyl-1,2,3-triazol-4-yl)methyl]propanedioate Openeye Name: dimethyl 2-[(3-phenyltriazol-4-yl)methyl]propanedioate CAS Name: 2-[(3-phenyl-4-triazolyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-phenyltriazol-4-yl)methyl]propanedioate Traditional Name: 2-[(3-phenyltriazol-4-yl)methyl]malonic acid dimethyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=NN1C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CN=NN1C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H15N3O4/c1-20-13(18)12(14(19)21-2)8-11-9-15-16-17(11)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3