3-azanylideneisoindol-1-amine; 2,2-dimethylpropanoic acid

Systemtic Name: 3-azanylideneisoindol-1-amine; 2,2-dimethylpropanoic acid Openeye Name: 2,2-dimethylpropanoic acid; 3-iminoisoindol-1-amine CAS Name: 2,2-dimethylpropanoic acid; 3-imino-1-isoindolamine IUPAC Name: 2,2-dimethylpropanoic acid; 3-iminoisoindol-1-amine Traditional Name: 2,2-dimethylpropionic acid; (3-iminoisoindol-1-yl)amine Formula: C13H17N3O2 MolecularWeight: 247.29298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)O.C1=CC=C2C(=C1)C(=NC2=N)N

Isomeric SMILES

CC(C)(C)C(=O)O.C1=CC=C2C(=C1)C(=NC2=N)N

InChI

InChI=1S/C8H7N3.C5H10O2/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-5(2,3)4(6)7/h1-4H,(H3,9,10,11);1-3H3,(H,6,7)