N-(3-cyanophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(3-cyanophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(3-cyanophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(3-cyanophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(3-cyanophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C11H8N6O3 MolecularWeight: 272.21962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CN2C=NC(=N2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CN2C=NC(=N2)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H8N6O3/c12-5-8-2-1-3-9(4-8)14-10(18)6-16-7-13-11(15-16)17(19)20/h1-4,7H,6H2,(H,14,18)