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

Systemtic Name: 5-chloranyl-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]-2-oxidanyl-benzamide Openeye Name: 5-chloro-2-hydroxy-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]benzamide CAS Name: 5-chloro-2-hydroxy-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide IUPAC Name: 5-chloro-2-hydroxy-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide Traditional Name: 5-chloro-2-hydroxy-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]benzamide Formula: C12H11ClN6O4 MolecularWeight: 338.70654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN6O4/c1-7(5-18-6-14-12(17-18)19(22)23)15-16-11(21)9-4-8(13)2-3-10(9)20/h2-4,6,20H,5H2,1H3,(H,16,21)/b15-7+