2-(4-chlorophenyl)-N-(3-methylbutyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine

Systemtic Name: 2-(4-chlorophenyl)-N-(3-methylbutyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-N-isopentyl-5-nitro-triazol-4-imine CAS Name: 2-(4-chlorophenyl)-3-hydroxy-N-(3-methylbutyl)-5-nitro-4-triazolimine IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-N-(3-methylbutyl)-5-nitrotriazol-4-imine Traditional Name: [2-(4-chlorophenyl)-3-hydroxy-5-nitro-triazol-4-ylidene]-isoamyl-amine Formula: C13H16ClN5O3 MolecularWeight: 325.75084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C1C(=NN(N1O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN=C1C(=NN(N1O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H16ClN5O3/c1-9(2)7-8-15-12-13(19(21)22)16-17(18(12)20)11-5-3-10(14)4-6-11/h3-6,9,20H,7-8H2,1-2H3