N-(2,6-dimethylphenyl)-3-(4-nitroimidazol-1-yl)propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-(2,6-dimethylphenyl)-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-(2,6-dimethylphenyl)-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-(2,6-dimethylphenyl)-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-(2,6-dimethylphenyl)-3-(4-nitroimidazol-1-yl)propionamide Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3/c1-10-4-3-5-11(2)14(10)16-13(19)6-7-17-8-12(15-9-17)18(20)21/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)