3-propan-2-ylbenzotriazole-5-carbaldehyde; 3-propan-2-ylbenzotriazole-5-carboxylic acid

Systemtic Name: 3-propan-2-ylbenzotriazole-5-carbaldehyde; 3-propan-2-ylbenzotriazole-5-carboxylic acid Openeye Name: 3-isopropylbenzotriazole-5-carbaldehyde; 3-isopropylbenzotriazole-5-carboxylic acid CAS Name: 3-propan-2-yl-5-benzotriazolecarboxaldehyde; 3-propan-2-yl-5-benzotriazolecarboxylic acid IUPAC Name: 3-propan-2-ylbenzotriazole-5-carbaldehyde; 3-propan-2-ylbenzotriazole-5-carboxylic acid Traditional Name: 3-isopropylbenzotriazole-5-carbaldehyde; 3-isopropylbenzotriazole-5-carboxylic acid Formula: C20H22N6O3 MolecularWeight: 394.42708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=CC(=C2)C=O)N=N1.CC(C)N1C2=C(C=CC(=C2)C(=O)O)N=N1

Isomeric SMILES

CC(C)N1C2=C(C=CC(=C2)C=O)N=N1.CC(C)N1C2=C(C=CC(=C2)C(=O)O)N=N1

InChI

InChI=1S/C10H11N3O2.C10H11N3O/c1-6(2)13-9-5-7(10(14)15)3-4-8(9)11-12-13;1-7(2)13-10-5-8(6-14)3-4-9(10)11-12-13/h3-6H,1-2H3,(H,14,15);3-7H,1-2H3