N-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitro-1-imidazolyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)acetamide Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-8-14-12(17(19)20)5-16(8)6-13(18)15-9-2-3-10-11(4-9)22-7-21-10/h2-5H,6-7H2,1H3,(H,15,18)