2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfonylethanamide

Systemtic Name: 2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfonylethanamide Openeye Name: 2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfonylacetamide CAS Name: 2-[[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]sulfonyl]acetamide IUPAC Name: 2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfonylacetamide Traditional Name: 2-[3-(4-methoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]sulfonylacetamide Formula: C14H15N5O8S MolecularWeight: 413.3626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])S(=O)(=O)CC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])S(=O)(=O)CC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O8S/c1-8-16-13(19(23)24)14(28(25,26)7-12(15)20)17(8)6-9-3-4-11(27-2)10(5-9)18(21)22/h3-5H,6-7H2,1-2H3,(H2,15,20)