N-[2-ethyl-5-methyl-4-[2-(4-nitrophenyl)ethynyl]pyrazol-3-yl]ethanamide

Systemtic Name: N-[2-ethyl-5-methyl-4-[2-(4-nitrophenyl)ethynyl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-ethyl-5-methyl-4-[2-(4-nitrophenyl)ethynyl]pyrazol-3-yl]acetamide CAS Name: N-[2-ethyl-5-methyl-4-[2-(4-nitrophenyl)ethynyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-ethyl-5-methyl-4-[2-(4-nitrophenyl)ethynyl]pyrazol-3-yl]acetamide Traditional Name: N-[2-ethyl-5-methyl-4-[2-(4-nitrophenyl)ethynyl]pyrazol-3-yl]acetamide Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C#CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C#CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C16H16N4O3/c1-4-19-16(17-12(3)21)15(11(2)18-19)10-7-13-5-8-14(9-6-13)20(22)23/h5-6,8-9H,4H2,1-3H3,(H,17,21)