(3E)-1-methyl-3-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]azepan-2-one

Systemtic Name: (3E)-1-methyl-3-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]azepan-2-one Openeye Name: (3E)-1-methyl-3-[(1-methyl-5-nitro-imidazol-2-yl)methylene]azepan-2-one CAS Name: (3E)-1-methyl-3-[(1-methyl-5-nitro-2-imidazolyl)methylidene]-2-azepanone IUPAC Name: (3E)-1-methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one Traditional Name: (3E)-1-methyl-3-[(1-methyl-5-nitro-imidazol-2-yl)methylene]azepan-2-one Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(=CC2=NC=C(N2C)[N+](=O)[O-])C1=O

Isomeric SMILES

CN1CCCC/C(=C\C2=NC=C(N2C)[N+](=O)[O-])/C1=O

InChI

InChI=1S/C12H16N4O3/c1-14-6-4-3-5-9(12(14)17)7-10-13-8-11(15(10)2)16(18)19/h7-8H,3-6H2,1-2H3/b9-7+