2-(benzotriazol-1-yl)-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]acetamide Formula: C13H13N9O3 MolecularWeight: 343.30082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CN1C2=CC=CC=C2N=N1)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)CN1C2=CC=CC=C2N=N1)/CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N9O3/c1-9(6-20-8-14-13(18-20)22(24)25)15-17-12(23)7-21-11-5-3-2-4-10(11)16-19-21/h2-5,8H,6-7H2,1H3,(H,17,23)/b15-9+