2-(benzotriazol-1-ylmethyl)butanedioic acid

Systemtic Name: 2-(benzotriazol-1-ylmethyl)butanedioic acid Openeye Name: 2-(benzotriazol-1-ylmethyl)butanedioic acid CAS Name: 2-(1-benzotriazolylmethyl)butanedioic acid IUPAC Name: 2-(benzotriazol-1-ylmethyl)butanedioic acid Traditional Name: 2-(benzotriazol-1-ylmethyl)succinic acid Formula: C11H11N3O4 MolecularWeight: 249.22274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C11H11N3O4/c15-10(16)5-7(11(17)18)6-14-9-4-2-1-3-8(9)12-13-14/h1-4,7H,5-6H2,(H,15,16)(H,17,18)