N-(3-ethynylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-(3-ethynylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-(3-ethynylphenyl)-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(3-ethynylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-(3-ethynylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C18H12N4O3 MolecularWeight: 332.31288

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O3/c1-2-13-5-3-6-14(11-13)19-18(23)17-9-10-21(20-17)15-7-4-8-16(12-15)22(24)25/h1,3-12H,(H,19,23)