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

Systemtic Name: 3-nitro-N-(5-oxidanylidene-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide Openeye Name: 3-nitro-N-(5-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide CAS Name: 3-nitro-N-(5-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide IUPAC Name: 3-nitro-N-(5-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide Traditional Name: N-(5-keto-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitro-benzamide Formula: C18H12N6O4 MolecularWeight: 376.32568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=NC(=O)C=C(N3N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=NC(=O)C=C(N3N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O4/c25-15-10-14(19-17(26)12-7-4-8-13(9-12)24(27)28)23-18(20-15)21-16(22-23)11-5-2-1-3-6-11/h1-10H,(H,19,26)(H,20,21,22,25)