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

Systemtic Name: 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-hydroxy-5-nitro-triazol-4-imine CAS Name: 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-hydroxy-5-nitro-4-triazolimine IUPAC Name: 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-hydroxy-5-nitrotriazol-4-imine Traditional Name: [2-(4-chlorophenyl)-3-hydroxy-5-nitro-triazol-4-ylidene]-(3,4-dimethylphenyl)amine Formula: C16H14ClN5O3 MolecularWeight: 359.76706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5O3/c1-10-3-6-13(9-11(10)2)18-15-16(22(24)25)19-20(21(15)23)14-7-4-12(17)5-8-14/h3-9,23H,1-2H3