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

Systemtic Name: 2-nitro-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide Openeye Name: N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]-2-nitro-benzamide CAS Name: 2-nitro-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide IUPAC Name: 2-nitro-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide Traditional Name: N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]-2-nitro-benzamide Formula: C12H11N7O5 MolecularWeight: 333.25964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N7O5/c1-8(6-17-7-13-12(16-17)19(23)24)14-15-11(20)9-4-2-3-5-10(9)18(21)22/h2-5,7H,6H2,1H3,(H,15,20)/b14-8+