2-[(4-methyl-5-oxidanylidene-3-propan-2-yloxy-1,2,4-triazol-1-yl)methyl]benzoic acid

Systemtic Name: 2-[(4-methyl-5-oxidanylidene-3-propan-2-yloxy-1,2,4-triazol-1-yl)methyl]benzoic acid Openeye Name: 2-[(3-isopropoxy-4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid CAS Name: 2-[(4-methyl-5-oxo-3-propan-2-yloxy-1,2,4-triazol-1-yl)methyl]benzoic acid IUPAC Name: 2-[(4-methyl-5-oxo-3-propan-2-yloxy-1,2,4-triazol-1-yl)methyl]benzoic acid Traditional Name: 2-[(3-isopropoxy-5-keto-4-methyl-1,2,4-triazol-1-yl)methyl]benzoic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NN(C(=O)N1C)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)OC1=NN(C(=O)N1C)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H17N3O4/c1-9(2)21-13-15-17(14(20)16(13)3)8-10-6-4-5-7-11(10)12(18)19/h4-7,9H,8H2,1-3H3,(H,18,19)