4-(benzotriazol-1-yl)-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 4-(benzotriazol-1-yl)-3,5-dinitro-benzenecarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-3,5-dinitro-benzonitrile CAS Name: 4-(1-benzotriazolyl)-3,5-dinitrobenzonitrile IUPAC Name: 4-(benzotriazol-1-yl)-3,5-dinitrobenzonitrile Traditional Name: 4-(benzotriazol-1-yl)-3,5-dinitro-benzonitrile Formula: C13H6N6O4 MolecularWeight: 310.22454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H6N6O4/c14-7-8-5-11(18(20)21)13(12(6-8)19(22)23)17-10-4-2-1-3-9(10)15-16-17/h1-6H