5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 2-(2-phenylethynyl)pyridine

Systemtic Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 2-(2-phenylethynyl)pyridine Openeye Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 2-(2-phenylethynyl)pyridine CAS Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 2-(2-phenylethynyl)pyridine IUPAC Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 2-(2-phenylethynyl)pyridine Traditional Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one; 2-(2-phenylethynyl)pyridine Formula: C23H17N5O5 MolecularWeight: 443.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].C1=CC=C(C=C1)C#CC2=CC=CC=N2

Isomeric SMILES

CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].C1=CC=C(C=C1)C#CC2=CC=CC=N2

InChI

InChI=1S/C13H9N.C10H8N4O5/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13;1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h1-8,11H;2-5,9H,1H3