N-[4-(cyanomethyl)phenyl]-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(4-nitroimidazol-1-yl)acetamide Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3/c14-6-5-10-1-3-11(4-2-10)16-13(19)8-17-7-12(15-9-17)18(20)21/h1-4,7,9H,5,8H2,(H,16,19)