2-nitro-5-(1,2,4-triazol-1-yl)benzenecarbonitrile

Systemtic Name: 2-nitro-5-(1,2,4-triazol-1-yl)benzenecarbonitrile Openeye Name: 2-nitro-5-(1,2,4-triazol-1-yl)benzonitrile CAS Name: 2-nitro-5-(1,2,4-triazol-1-yl)benzonitrile IUPAC Name: 2-nitro-5-(1,2,4-triazol-1-yl)benzonitrile Traditional Name: 2-nitro-5-(1,2,4-triazol-1-yl)benzonitrile Formula: C9H5N5O2 MolecularWeight: 215.1683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=NC=N2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N2C=NC=N2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C9H5N5O2/c10-4-7-3-8(13-6-11-5-12-13)1-2-9(7)14(15)16/h1-3,5-6H