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

Systemtic Name: 2-[(3,4-dicyclopropyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]benzoic acid Openeye Name: 2-[(3,4-dicyclopropyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid CAS Name: 2-[(3,4-dicyclopropyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid IUPAC Name: 2-[(3,4-dicyclopropyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid Traditional Name: 2-[(3,4-dicyclopropyl-5-keto-1,2,4-triazol-1-yl)methyl]benzoic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=O)N2C3CC3)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CC1C2=NN(C(=O)N2C3CC3)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C16H17N3O3/c20-15(21)13-4-2-1-3-11(13)9-18-16(22)19(12-7-8-12)14(17-18)10-5-6-10/h1-4,10,12H,5-9H2,(H,20,21)