2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-phenethyl-ethanamide Openeye Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-phenethyl-acetamide CAS Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-phenethylacetamide IUPAC Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-phenethylacetamide Traditional Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-phenethyl-acetamide Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CC2=NC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CC2=NC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3/c24-17(19-10-9-13-5-2-1-3-6-13)12-16-20-18(22-21-16)14-7-4-8-15(11-14)23(25)26/h1-8,11H,9-10,12H2,(H,19,24)(H,20,21,22)