(E)-4-(1-methyl-5-nitro-imidazol-2-yl)but-3-en-2-one

Systemtic Name: (E)-4-(1-methyl-5-nitro-imidazol-2-yl)but-3-en-2-one Openeye Name: (E)-4-(1-methyl-5-nitro-imidazol-2-yl)but-3-en-2-one CAS Name: (E)-4-(1-methyl-5-nitro-2-imidazolyl)-3-buten-2-one IUPAC Name: (E)-4-(1-methyl-5-nitroimidazol-2-yl)but-3-en-2-one Traditional Name: (E)-4-(1-methyl-5-nitro-imidazol-2-yl)but-3-en-2-one Formula: C8H9N3O3 MolecularWeight: 195.17536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=NC=C(N1C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O3/c1-6(12)3-4-7-9-5-8(10(7)2)11(13)14/h3-5H,1-2H3/b4-3+