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

Systemtic Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide CAS Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-prop-2-enylacetamide IUPAC Name: 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CC1=NC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)CC1=NC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O3/c1-2-6-14-12(19)8-11-15-13(17-16-11)9-4-3-5-10(7-9)18(20)21/h2-5,7H,1,6,8H2,(H,14,19)(H,15,16,17)