2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanenitrile

Systemtic Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanenitrile Openeye Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile CAS Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile IUPAC Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile Traditional Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile Formula: C10H7N5O2 MolecularWeight: 229.19488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=N2)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=N2)CC#N

InChI

InChI=1S/C10H7N5O2/c11-5-4-9-12-10(14-13-9)7-2-1-3-8(6-7)15(16)17/h1-3,6H,4H2,(H,12,13,14)