5-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]-1H-indazole-3-carboxamide

Systemtic Name: 5-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]-1H-indazole-3-carboxamide Openeye Name: 5-nitro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-1H-indazole-3-carboxamide CAS Name: 5-nitro-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-1H-indazole-3-carboxamide IUPAC Name: 5-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]-1H-indazole-3-carboxamide Traditional Name: 5-nitro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-1H-indazole-3-carboxamide Formula: C21H13N5O3 MolecularWeight: 383.35962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NNC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NNC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O3/c27-21(20-18-13-17(26(28)29)9-10-19(18)24-25-20)23-16-6-3-4-14(12-16)7-8-15-5-1-2-11-22-15/h1-6,9-13H,(H,23,27)(H,24,25)