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

Systemtic Name: N-(2-butyl-5-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitro-benzamide Openeye Name: N-(2-butyl-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitro-benzamide CAS Name: N-(2-butyl-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitrobenzamide IUPAC Name: N-(2-butyl-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitrobenzamide Traditional Name: N-(2-butyl-5-keto-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitro-benzamide Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=NC(=O)C=C(N2N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=NC(=O)C=C(N2N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O4/c1-2-3-7-12-17-16-19-14(23)9-13(21(16)20-12)18-15(24)10-5-4-6-11(8-10)22(25)26/h4-6,8-9H,2-3,7H2,1H3,(H,18,24)(H,17,19,20,23)