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

Systemtic Name: N-(3-methylbutyl)-5-nitro-3-oxidanyl-2-phenyl-1,2,3-triazol-4-imine Openeye Name: 3-hydroxy-N-isopentyl-5-nitro-2-phenyl-triazol-4-imine CAS Name: 3-hydroxy-N-(3-methylbutyl)-5-nitro-2-phenyl-4-triazolimine IUPAC Name: 3-hydroxy-N-(3-methylbutyl)-5-nitro-2-phenyltriazol-4-imine Traditional Name: (3-hydroxy-5-nitro-2-phenyl-triazol-4-ylidene)-isoamyl-amine Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O3/c1-10(2)8-9-14-12-13(18(20)21)15-16(17(12)19)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3