N-[2-(3-methylphenyl)ethyl]-5-nitro-3-oxidanyl-2-phenyl-1,2,3-triazol-4-imine

Systemtic Name: N-[2-(3-methylphenyl)ethyl]-5-nitro-3-oxidanyl-2-phenyl-1,2,3-triazol-4-imine Openeye Name: 3-hydroxy-N-[2-(m-tolyl)ethyl]-5-nitro-2-phenyl-triazol-4-imine CAS Name: 3-hydroxy-N-[2-(3-methylphenyl)ethyl]-5-nitro-2-phenyl-4-triazolimine IUPAC Name: 3-hydroxy-N-[2-(3-methylphenyl)ethyl]-5-nitro-2-phenyltriazol-4-imine Traditional Name: (3-hydroxy-5-nitro-2-phenyl-triazol-4-ylidene)-[2-(m-tolyl)ethyl]amine Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCN=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CCN=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c1-13-6-5-7-14(12-13)10-11-18-16-17(22(24)25)19-20(21(16)23)15-8-3-2-4-9-15/h2-9,12,23H,10-11H2,1H3