N-(2-ethyl-5-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-nitro-benzamide

Systemtic Name: N-(2-ethyl-5-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-nitro-benzamide Openeye Name: N-(2-ethyl-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-nitro-benzamide CAS Name: N-(2-ethyl-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-nitrobenzamide IUPAC Name: N-(2-ethyl-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-nitrobenzamide Traditional Name: N-(2-ethyl-5-keto-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-nitro-benzamide Formula: C14H12N6O4 MolecularWeight: 328.28288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=NC(=O)C=C(N2N1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC2=NC(=O)C=C(N2N1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O4/c1-2-10-15-14-17-12(21)7-11(19(14)18-10)16-13(22)8-3-5-9(6-4-8)20(23)24/h3-7H,2H2,1H3,(H,16,22)(H,15,17,18,21)