1-(2-acetamidoethyl)benzotriazole-5-carboxylic acid

Systemtic Name: 1-(2-acetamidoethyl)benzotriazole-5-carboxylic acid Openeye Name: 1-(2-acetamidoethyl)benzotriazole-5-carboxylic acid CAS Name: 1-(2-acetamidoethyl)-5-benzotriazolecarboxylic acid IUPAC Name: 1-(2-acetamidoethyl)benzotriazole-5-carboxylic acid Traditional Name: 1-(2-acetamidoethyl)benzotriazole-5-carboxylic acid Formula: C11H12N4O3 MolecularWeight: 248.23798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C2=C(C=C(C=C2)C(=O)O)N=N1

Isomeric SMILES

CC(=O)NCCN1C2=C(C=C(C=C2)C(=O)O)N=N1

InChI

InChI=1S/C11H12N4O3/c1-7(16)12-4-5-15-10-3-2-8(11(17)18)6-9(10)13-14-15/h2-3,6H,4-5H2,1H3,(H,12,16)(H,17,18)