N-(furan-2-ylmethyl)-5-nitro-3-oxidanyl-2-phenyl-1,2,3-triazol-4-imine

Systemtic Name: N-(furan-2-ylmethyl)-5-nitro-3-oxidanyl-2-phenyl-1,2,3-triazol-4-imine Openeye Name: N-(2-furylmethyl)-3-hydroxy-5-nitro-2-phenyl-triazol-4-imine CAS Name: N-(2-furanylmethyl)-3-hydroxy-5-nitro-2-phenyl-4-triazolimine IUPAC Name: N-(furan-2-ylmethyl)-3-hydroxy-5-nitro-2-phenyltriazol-4-imine Traditional Name: 2-furfuryl-(3-hydroxy-5-nitro-2-phenyl-triazol-4-ylidene)amine Formula: C13H11N5O4 MolecularWeight: 301.25754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C(C(=NCC3=CC=CO3)N2O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2N=C(C(=NCC3=CC=CO3)N2O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O4/c19-17-12(14-9-11-7-4-8-22-11)13(18(20)21)15-16(17)10-5-2-1-3-6-10/h1-8,19H,9H2