3,6-dimethyl-[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid

Systemtic Name: 3,6-dimethyl-[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid Openeye Name: 3,6-dimethyl-[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid CAS Name: 3,6-dimethyl-[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid IUPAC Name: 3,6-dimethyl-[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid Traditional Name: 3,6-dimethyl-[1,2,4]triazol[3,4-a]isoquinoline-5-carboxylic acid Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=NN=C2C3=CC=CC=C13)C)C(=O)O

Isomeric SMILES

CC1=C(N2C(=NN=C2C3=CC=CC=C13)C)C(=O)O

InChI

InChI=1S/C13H11N3O2/c1-7-9-5-3-4-6-10(9)12-15-14-8(2)16(12)11(7)13(17)18/h3-6H,1-2H3,(H,17,18)