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

Systemtic Name: 2-(3-chlorophenyl)-5-nitro-3-oxidanyl-N-(pyridin-3-ylmethyl)-1,2,3-triazol-4-imine Openeye Name: 2-(3-chlorophenyl)-3-hydroxy-5-nitro-N-(3-pyridylmethyl)triazol-4-imine CAS Name: 2-(3-chlorophenyl)-3-hydroxy-5-nitro-N-(3-pyridinylmethyl)-4-triazolimine IUPAC Name: 2-(3-chlorophenyl)-3-hydroxy-5-nitro-N-(pyridin-3-ylmethyl)triazol-4-imine Traditional Name: [2-(3-chlorophenyl)-3-hydroxy-5-nitro-triazol-4-ylidene]-(3-pyridylmethyl)amine Formula: C14H11ClN6O3 MolecularWeight: 346.72854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2N=C(C(=NCC3=CN=CC=C3)N2O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2N=C(C(=NCC3=CN=CC=C3)N2O)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN6O3/c15-11-4-1-5-12(7-11)19-18-14(21(23)24)13(20(19)22)17-9-10-3-2-6-16-8-10/h1-8,22H,9H2