2-[5-nitro-2-(2-phenylethynyl)imidazol-1-yl]ethanal

Systemtic Name: 2-[5-nitro-2-(2-phenylethynyl)imidazol-1-yl]ethanal Openeye Name: 2-[5-nitro-2-(2-phenylethynyl)imidazol-1-yl]acetaldehyde CAS Name: 2-[5-nitro-2-(2-phenylethynyl)-1-imidazolyl]acetaldehyde IUPAC Name: 2-[5-nitro-2-(2-phenylethynyl)imidazol-1-yl]acetaldehyde Traditional Name: 2-[5-nitro-2-(2-phenylethynyl)imidazol-1-yl]acetaldehyde Formula: C13H9N3O3 MolecularWeight: 255.22886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=NC=C(N2CC=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=NC=C(N2CC=O)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O3/c17-9-8-15-12(14-10-13(15)16(18)19)7-6-11-4-2-1-3-5-11/h1-5,9-10H,8H2