3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C16H10N6O4 MolecularWeight: 350.2884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H10N6O4/c23-16-12-6-1-2-7-13(12)18-20-21(16)9-14-17-15(19-26-14)10-4-3-5-11(8-10)22(24)25/h1-8H,9H2