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

Systemtic Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-phenethyl-ethanamide Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-phenethyl-acetamide CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-phenethylacetamide IUPAC Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-phenethylacetamide Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-phenethyl-acetamide Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3/c18-11(8-16-9-14-12(15-16)17(19)20)13-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,18)