1-(6-nitro-1,3-benzodioxol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine Openeye Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine CAS Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine Traditional Name: (Z)-(6-nitro-1,3-benzodioxol-5-yl)methylene-(3-phenyl-1,2,4-triazol-4-yl)amine Formula: C16H11N5O4 MolecularWeight: 337.28964

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NN3C=NN=C3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N\N3C=NN=C3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O4/c22-21(23)13-7-15-14(24-10-25-15)6-12(13)8-18-20-9-17-19-16(20)11-4-2-1-3-5-11/h1-9H,10H2/b18-8-