N-(2-methyl-5-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitro-benzamide

Systemtic Name: N-(2-methyl-5-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitro-benzamide Openeye Name: N-(2-methyl-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitro-benzamide CAS Name: N-(2-methyl-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitrobenzamide IUPAC Name: N-(2-methyl-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitrobenzamide Traditional Name: N-(5-keto-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitro-benzamide Formula: C13H10N6O4 MolecularWeight: 314.2563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=O)C=C(N2N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=NC(=O)C=C(N2N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O4/c1-7-14-13-16-11(20)6-10(18(13)17-7)15-12(21)8-3-2-4-9(5-8)19(22)23/h2-6H,1H3,(H,15,21)(H,14,16,17,20)