5-(3,5-dimethyl-1,2,3-triazolidin-1-yl)-2-methoxy-benzoic acid

Systemtic Name: 5-(3,5-dimethyl-1,2,3-triazolidin-1-yl)-2-methoxy-benzoic acid Openeye Name: 5-(3,5-dimethyltriazolidin-1-yl)-2-methoxy-benzoic acid CAS Name: 5-(3,5-dimethyl-1-triazolidinyl)-2-methoxybenzoic acid IUPAC Name: 5-(3,5-dimethyltriazolidin-1-yl)-2-methoxybenzoic acid Traditional Name: 5-(3,5-dimethyltriazolidin-1-yl)-2-methoxy-benzoic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(NN1C2=CC(=C(C=C2)OC)C(=O)O)C

Isomeric SMILES

CC1CN(NN1C2=CC(=C(C=C2)OC)C(=O)O)C

InChI

InChI=1S/C12H17N3O3/c1-8-7-14(2)13-15(8)9-4-5-11(18-3)10(6-9)12(16)17/h4-6,8,13H,7H2,1-3H3,(H,16,17)