N-[1-methyl-4-[2-(4-nitrophenyl)ethynyl]pyrazol-3-yl]ethanamide

Systemtic Name: N-[1-methyl-4-[2-(4-nitrophenyl)ethynyl]pyrazol-3-yl]ethanamide Openeye Name: N-[1-methyl-4-[2-(4-nitrophenyl)ethynyl]pyrazol-3-yl]acetamide CAS Name: N-[1-methyl-4-[2-(4-nitrophenyl)ethynyl]-3-pyrazolyl]acetamide IUPAC Name: N-[1-methyl-4-[2-(4-nitrophenyl)ethynyl]pyrazol-3-yl]acetamide Traditional Name: N-[1-methyl-4-[2-(4-nitrophenyl)ethynyl]pyrazol-3-yl]acetamide Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C=C1C#CC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=O)NC1=NN(C=C1C#CC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H12N4O3/c1-10(19)15-14-12(9-17(2)16-14)6-3-11-4-7-13(8-5-11)18(20)21/h4-5,7-9H,1-2H3,(H,15,16,19)