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

Systemtic Name: (E)-N-methyl-4-(3-methyl-2-nitro-imidazol-4-yl)but-3-en-2-imine oxide Openeye Name: (E)-N-methyl-4-(3-methyl-2-nitro-imidazol-4-yl)but-3-en-2-imine oxide CAS Name: (E)-N-methyl-4-(3-methyl-2-nitro-4-imidazolyl)-3-buten-2-imine oxide IUPAC Name: (E)-N-methyl-4-(3-methyl-2-nitroimidazol-4-yl)but-3-en-2-imine oxide Traditional Name: (E)-N-methyl-4-(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=CC1=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/c1-7(12(3)14)4-5-8-6-10-9(11(8)2)13(15)16/h4-6H,1-3H3/b5-4+,12-7-