5,6-dimethyl-7-nitro-1-pentan-3-yl-benzotriazole

Systemtic Name: 5,6-dimethyl-7-nitro-1-pentan-3-yl-benzotriazole Openeye Name: 1-(1-ethylpropyl)-5,6-dimethyl-7-nitro-benzotriazole CAS Name: 5,6-dimethyl-7-nitro-1-pentan-3-ylbenzotriazole IUPAC Name: 5,6-dimethyl-7-nitro-1-pentan-3-ylbenzotriazole Traditional Name: 1-(1-ethylpropyl)-5,6-dimethyl-7-nitro-benzotriazole Formula: C13H18N4O2 MolecularWeight: 262.30762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C2=C(C=C(C(=C2[N+](=O)[O-])C)C)N=N1

Isomeric SMILES

CCC(CC)N1C2=C(C=C(C(=C2[N+](=O)[O-])C)C)N=N1

InChI

InChI=1S/C13H18N4O2/c1-5-10(6-2)16-13-11(14-15-16)7-8(3)9(4)12(13)17(18)19/h7,10H,5-6H2,1-4H3