3-(2-methyl-1-oxidanyl-propan-2-yl)-6-nitro-benzotriazole-4-carboxylic acid

Systemtic Name: 3-(2-methyl-1-oxidanyl-propan-2-yl)-6-nitro-benzotriazole-4-carboxylic acid Openeye Name: 3-(2-hydroxy-1,1-dimethyl-ethyl)-6-nitro-benzotriazole-4-carboxylic acid CAS Name: 3-(1-hydroxy-2-methylpropan-2-yl)-6-nitro-4-benzotriazolecarboxylic acid IUPAC Name: 3-(1-hydroxy-2-methylpropan-2-yl)-6-nitrobenzotriazole-4-carboxylic acid Traditional Name: 3-(2-hydroxy-1,1-dimethyl-ethyl)-6-nitro-benzotriazole-4-carboxylic acid Formula: C11H12N4O5 MolecularWeight: 280.23678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)N1C2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])N=N1

Isomeric SMILES

CC(C)(CO)N1C2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])N=N1

InChI

InChI=1S/C11H12N4O5/c1-11(2,5-16)14-9-7(10(17)18)3-6(15(19)20)4-8(9)12-13-14/h3-4,16H,5H2,1-2H3,(H,17,18)