N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C12H10N6O3 MolecularWeight: 286.2462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O3/c13-6-5-9-1-3-10(4-2-9)15-11(19)7-17-8-14-12(16-17)18(20)21/h1-4,8H,5,7H2,(H,15,19)