N-(2-cyanoethyl)-2-(4-nitroimidazol-1-yl)-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4-nitroimidazol-1-yl)-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(4-nitroimidazol-1-yl)-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-(4-nitro-1-imidazolyl)-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(4-nitroimidazol-1-yl)-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-(4-nitroimidazol-1-yl)-N-phenyl-acetamide Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3/c15-7-4-8-18(12-5-2-1-3-6-12)14(20)10-17-9-13(16-11-17)19(21)22/h1-3,5-6,9,11H,4,8,10H2