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

Systemtic Name: 5-nitro-2-[2-(1,2,4-triazol-1-yl)ethylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[2-(1,2,4-triazol-1-yl)ethylamino]benzonitrile CAS Name: 5-nitro-2-[2-(1,2,4-triazol-1-yl)ethylamino]benzonitrile IUPAC Name: 5-nitro-2-[2-(1,2,4-triazol-1-yl)ethylamino]benzonitrile Traditional Name: 5-nitro-2-[2-(1,2,4-triazol-1-yl)ethylamino]benzonitrile Formula: C11H10N6O2 MolecularWeight: 258.2361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCCN2C=NC=N2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCCN2C=NC=N2

InChI

InChI=1S/C11H10N6O2/c12-6-9-5-10(17(18)19)1-2-11(9)14-3-4-16-8-13-7-15-16/h1-2,5,7-8,14H,3-4H2