3-nitro-4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)benzenecarbonitrile Openeye Name: 3-nitro-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzonitrile CAS Name: 3-nitro-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzonitrile IUPAC Name: 3-nitro-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzonitrile Traditional Name: 4-(4-keto-1,2,3-benzotriazin-3-yl)-3-nitro-benzonitrile Formula: C14H7N5O3 MolecularWeight: 293.23708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H7N5O3/c15-8-9-5-6-12(13(7-9)19(21)22)18-14(20)10-3-1-2-4-11(10)16-17-18/h1-7H