2-(2,4-dinitrophenyl)-5-phenyl-1H-1,2,4-triazol-3-one

Systemtic Name: 2-(2,4-dinitrophenyl)-5-phenyl-1H-1,2,4-triazol-3-one Openeye Name: 2-(2,4-dinitrophenyl)-5-phenyl-1H-1,2,4-triazol-3-one CAS Name: 2-(2,4-dinitrophenyl)-5-phenyl-1H-1,2,4-triazol-3-one IUPAC Name: 2-(2,4-dinitrophenyl)-5-phenyl-1H-1,2,4-triazol-3-one Traditional Name: 2-(2,4-dinitrophenyl)-5-phenyl-1H-1,2,4-triazol-3-one Formula: C14H9N5O5 MolecularWeight: 327.25176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=O)N(N2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=O)N(N2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O5/c20-14-15-13(9-4-2-1-3-5-9)16-17(14)11-7-6-10(18(21)22)8-12(11)19(23)24/h1-8H,(H,15,16,20)