dimethyl (2S)-2-[[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]carbonyl]butanedioate

Systemtic Name: dimethyl (2S)-2-[[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]carbonyl]butanedioate Openeye Name: dimethyl (2S)-2-[1-(4-methoxyphenyl)triazole-4-carbonyl]butanedioate CAS Name: (2S)-2-[[1-(4-methoxyphenyl)-4-triazolyl]-oxomethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[1-(4-methoxyphenyl)triazole-4-carbonyl]butanedioate Traditional Name: (2S)-2-[1-(4-methoxyphenyl)triazole-4-carbonyl]succinic acid dimethyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(N=N2)C(=O)C(CC(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(N=N2)C(=O)[C@H](CC(=O)OC)C(=O)OC

InChI

InChI=1S/C16H17N3O6/c1-23-11-6-4-10(5-7-11)19-9-13(17-18-19)15(21)12(16(22)25-3)8-14(20)24-2/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1