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

Systemtic Name: 4-nitro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide Openeye Name: 4-nitro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide CAS Name: 4-nitro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide IUPAC Name: 4-nitro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide Traditional Name: 4-nitro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide Formula: C18H12N6O3 MolecularWeight: 360.32628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O3/c25-16(13-6-8-14(9-7-13)24(26)27)20-17-21-18-19-11-10-15(23(18)22-17)12-4-2-1-3-5-12/h1-11H,(H,20,22,25)