(E)-3-(5,6-dimethylbenzotriazol-1-yl)but-2-enoic acid

Systemtic Name: (E)-3-(5,6-dimethylbenzotriazol-1-yl)but-2-enoic acid Openeye Name: (E)-3-(5,6-dimethylbenzotriazol-1-yl)but-2-enoic acid CAS Name: (E)-3-(5,6-dimethyl-1-benzotriazolyl)-2-butenoic acid IUPAC Name: (E)-3-(5,6-dimethylbenzotriazol-1-yl)but-2-enoic acid Traditional Name: (E)-3-(5,6-dimethylbenzotriazol-1-yl)but-2-enoic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(N=N2)C(=CC(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N(N=N2)/C(=C/C(=O)O)/C

InChI

InChI=1S/C12H13N3O2/c1-7-4-10-11(5-8(7)2)15(14-13-10)9(3)6-12(16)17/h4-6H,1-3H3,(H,16,17)/b9-6+