6-nitro-3-(1-oxidanylbutan-2-yl)benzotriazole-4-carboxylic acid

Systemtic Name: 6-nitro-3-(1-oxidanylbutan-2-yl)benzotriazole-4-carboxylic acid Openeye Name: 3-[1-(hydroxymethyl)propyl]-6-nitro-benzotriazole-4-carboxylic acid CAS Name: 3-(1-hydroxybutan-2-yl)-6-nitro-4-benzotriazolecarboxylic acid IUPAC Name: 3-(1-hydroxybutan-2-yl)-6-nitrobenzotriazole-4-carboxylic acid Traditional Name: 3-(1-methylolpropyl)-6-nitro-benzotriazole-4-carboxylic acid Formula: C11H12N4O5 MolecularWeight: 280.23678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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