2-(4-chlorophenyl)-5-nitro-3-oxidanyl-N-[(2S)-2-phenylpropyl]-1,2,3-triazol-4-imine

Systemtic Name: 2-(4-chlorophenyl)-5-nitro-3-oxidanyl-N-[(2S)-2-phenylpropyl]-1,2,3-triazol-4-imine Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-5-nitro-N-[(2S)-2-phenylpropyl]triazol-4-imine CAS Name: 2-(4-chlorophenyl)-3-hydroxy-5-nitro-N-[(2S)-2-phenylpropyl]-4-triazolimine IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-5-nitro-N-[(2S)-2-phenylpropyl]triazol-4-imine Traditional Name: [2-(4-chlorophenyl)-3-hydroxy-5-nitro-triazol-4-ylidene]-[(2S)-2-phenylpropyl]amine Formula: C17H16ClN5O3 MolecularWeight: 373.79364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN=C1C(=NN(N1O)C2=CC=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[C@H](CN=C1C(=NN(N1O)C2=CC=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H16ClN5O3/c1-12(13-5-3-2-4-6-13)11-19-16-17(23(25)26)20-21(22(16)24)15-9-7-14(18)8-10-15/h2-10,12,24H,11H2,1H3/t12-/m1/s1