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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)-3-hydroxy-5-nitro-triazol-4-imine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)-3-hydroxy-5-nitro-4-triazolimine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)-3-hydroxy-5-nitrotriazol-4-imine Traditional Name: [2-(3-chlorophenyl)-3-hydroxy-5-nitro-triazol-4-ylidene]-piperonyl-amine Formula: C16H12ClN5O5 MolecularWeight: 389.74998

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O5/c17-11-2-1-3-12(7-11)20-19-16(22(24)25)15(21(20)23)18-8-10-4-5-13-14(6-10)27-9-26-13/h1-7,23H,8-9H2