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

Systemtic Name: N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]-4-oxidanyl-benzamide Openeye Name: 4-hydroxy-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]benzamide CAS Name: 4-hydroxy-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide IUPAC Name: 4-hydroxy-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide Traditional Name: 4-hydroxy-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]benzamide Formula: C12H12N6O4 MolecularWeight: 304.26148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O4/c1-8(6-17-7-13-12(16-17)18(21)22)14-15-11(20)9-2-4-10(19)5-3-9/h2-5,7,19H,6H2,1H3,(H,15,20)/b14-8+