4-(benzotriazol-1-yl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(benzotriazol-1-yl)-3-nitro-benzenecarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-3-nitro-benzonitrile CAS Name: 4-(1-benzotriazolyl)-3-nitrobenzonitrile IUPAC Name: 4-(benzotriazol-1-yl)-3-nitrobenzonitrile Traditional Name: 4-(benzotriazol-1-yl)-3-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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