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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-3-oxidanyl-2-phenyl-1,2,3-triazol-4-imine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-5-nitro-2-phenyl-triazol-4-imine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-5-nitro-2-phenyl-4-triazolimine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-5-nitro-2-phenyltriazol-4-imine Traditional Name: (3-hydroxy-5-nitro-2-phenyl-triazol-4-ylidene)-piperonyl-amine Formula: C16H13N5O5 MolecularWeight: 355.30492

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN=C3C(=NN(N3O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN=C3C(=NN(N3O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5/c22-20-15(17-9-11-6-7-13-14(8-11)26-10-25-13)16(21(23)24)18-19(20)12-4-2-1-3-5-12/h1-8,22H,9-10H2