2-(benzotriazol-1-yl)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(benzotriazol-1-yl)-5-nitro-benzenecarbonitrile Openeye Name: 2-(benzotriazol-1-yl)-5-nitro-benzonitrile CAS Name: 2-(1-benzotriazolyl)-5-nitrobenzonitrile IUPAC Name: 2-(benzotriazol-1-yl)-5-nitrobenzonitrile Traditional Name: 2-(benzotriazol-1-yl)-5-nitro-benzonitrile Formula: C13H7N5O2 MolecularWeight: 265.22698

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H7N5O2/c14-8-9-7-10(18(19)20)5-6-12(9)17-13-4-2-1-3-11(13)15-16-17/h1-7H