N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine

Systemtic Name: N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-imine CAS Name: N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-4-triazolimine IUPAC Name: N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxy-2-(4-methoxyphenyl)-5-nitrotriazol-4-imine Traditional Name: (2-chloro-4-fluoro-benzyl)-[3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-ylidene]amine Formula: C16H13ClFN5O4 MolecularWeight: 393.756923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C(C(=NCC3=C(C=C(C=C3)F)Cl)N2O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C(C(=NCC3=C(C=C(C=C3)F)Cl)N2O)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClFN5O4/c1-27-13-6-4-12(5-7-13)21-20-16(23(25)26)15(22(21)24)19-9-10-2-3-11(18)8-14(10)17/h2-8,24H,9H2,1H3