2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-N-[(1R)-1-phenylethyl]-1,2,3-triazol-4-imine

Systemtic Name: 2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-N-[(1R)-1-phenylethyl]-1,2,3-triazol-4-imine Openeye Name: 3-hydroxy-2-(4-methoxyphenyl)-5-nitro-N-[(1R)-1-phenylethyl]triazol-4-imine CAS Name: 3-hydroxy-2-(4-methoxyphenyl)-5-nitro-N-[(1R)-1-phenylethyl]-4-triazolimine IUPAC Name: 3-hydroxy-2-(4-methoxyphenyl)-5-nitro-N-[(1R)-1-phenylethyl]triazol-4-imine Traditional Name: [3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-ylidene]-[(1R)-1-phenylethyl]amine Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C2C(=NN(N2O)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4/c1-12(13-6-4-3-5-7-13)18-16-17(22(24)25)19-20(21(16)23)14-8-10-15(26-2)11-9-14/h3-12,23H,1-2H3/t12-/m1/s1