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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2N=C(C(=NCC3=CC=NC=C3)N2O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1N2N=C(C(=NCC3=CC=NC=C3)N2O)[N+](=O)[O-])Cl

InChI

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