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

Systemtic Name: N-[2-(4-methylphenyl)-5-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[5-oxo-2-(p-tolyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide CAS Name: N-[2-(4-methylphenyl)-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-nitrobenzamide IUPAC Name: N-[2-(4-methylphenyl)-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-nitrobenzamide Traditional Name: N-[5-keto-2-(p-tolyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-nitro-benzamide Formula: C19H14N6O4 MolecularWeight: 390.35226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=NC(=O)C=C(N3N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=NC(=O)C=C(N3N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O4/c1-11-2-4-12(5-3-11)17-22-19-21-16(26)10-15(24(19)23-17)20-18(27)13-6-8-14(9-7-13)25(28)29/h2-10H,1H3,(H,20,27)(H,21,22,23,26)