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

Systemtic Name: N-[4-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]phenyl]acetamide CAS Name: N-[4-[2-(3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]phenyl]acetamide IUPAC Name: N-[4-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]phenyl]acetamide Traditional Name: N-[4-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]phenyl]acetamide Formula: C12H11N5O4 MolecularWeight: 289.24684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O4/c1-8(18)14-10-4-2-9(3-5-10)11(19)6-16-7-13-12(15-16)17(20)21/h2-5,7H,6H2,1H3,(H,14,18)