N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-nitroimidazol-1-yl)acetamide Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN2C=C(N=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN2C=C(N=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N5O3/c1-12-6-13(2)8-14(7-12)20(5-3-4-17)16(22)10-19-9-15(18-11-19)21(23)24/h6-9,11H,3,5,10H2,1-2H3