2-(3-nitro-1,2,4-triazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]ethanamide

Systemtic Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]ethanamide Openeye Name: N-[(Z)-1-benzylpropylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide IUPAC Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide Traditional Name: N-[(Z)-1-benzylpropylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)CN1C=NC(=N1)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC/C(=N/NC(=O)CN1C=NC(=N1)[N+](=O)[O-])/CC2=CC=CC=C2

InChI

InChI=1S/C14H16N6O3/c1-2-12(8-11-6-4-3-5-7-11)16-17-13(21)9-19-10-15-14(18-19)20(22)23/h3-7,10H,2,8-9H2,1H3,(H,17,21)/b16-12-