2-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: 2-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 2-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)benzoate CAS Name: 2-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)benzoate IUPAC Name: 2-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 2-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)benzoate Formula: C13H12N3O2- MolecularWeight: 242.25328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2C(=O)[O-])C3CC3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2C(=O)[O-])C3CC3

InChI

InChI=1S/C13H13N3O2/c1-8-14-15-12(9-6-7-9)16(8)11-5-3-2-4-10(11)13(17)18/h2-5,9H,6-7H2,1H3,(H,17,18)/p-1