N-methyl-3-(3-methyl-2-nitro-imidazol-4-yl)but-3-en-2-imine oxide

Systemtic Name: N-methyl-3-(3-methyl-2-nitro-imidazol-4-yl)but-3-en-2-imine oxide Openeye Name: N-methyl-3-(3-methyl-2-nitro-imidazol-4-yl)but-3-en-2-imine oxide CAS Name: N-methyl-3-(3-methyl-2-nitro-4-imidazolyl)-3-buten-2-imine oxide IUPAC Name: N-methyl-3-(3-methyl-2-nitroimidazol-4-yl)but-3-en-2-imine oxide Traditional Name: N-methyl-3-(3-methyl-2-nitro-imidazol-4-yl)but-3-en-2-imine oxide Formula: C9H12N4O3 MolecularWeight: 224.21658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+](C)[O-])C(=C)C1=CN=C(N1C)[N+](=O)[O-]

Isomeric SMILES

C/C(=[N+](/C)\[O-])/C(=C)C1=CN=C(N1C)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O3/c1-6(7(2)12(4)14)8-5-10-9(11(8)3)13(15)16/h5H,1H2,2-4H3/b12-7+