2-[(2R)-2-methyl-1-nitro-pentan-2-yl]benzotriazole

Systemtic Name: 2-[(2R)-2-methyl-1-nitro-pentan-2-yl]benzotriazole Openeye Name: 2-[(1R)-1-methyl-1-(nitromethyl)butyl]benzotriazole CAS Name: 2-[(2R)-2-methyl-1-nitropentan-2-yl]benzotriazole IUPAC Name: 2-[(2R)-2-methyl-1-nitropentan-2-yl]benzotriazole Traditional Name: 2-[(1R)-1-methyl-1-(nitromethyl)butyl]benzotriazole Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C[N+](=O)[O-])N1N=C2C=CC=CC2=N1

Isomeric SMILES

CCC[C@](C)(C[N+](=O)[O-])N1N=C2C=CC=CC2=N1

InChI

InChI=1S/C12H16N4O2/c1-3-8-12(2,9-15(17)18)16-13-10-6-4-5-7-11(10)14-16/h4-7H,3,8-9H2,1-2H3/t12-/m1/s1