(E)-3-(1H-imidazol-2-yl)-1-(3-nitro-2-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1H-imidazol-2-yl)-1-(3-nitro-2-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(2-hydroxy-3-nitro-phenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one CAS Name: (E)-1-(2-hydroxy-3-nitrophenyl)-3-(1H-imidazol-2-yl)-2-propen-1-one IUPAC Name: (E)-1-(2-hydroxy-3-nitrophenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(2-hydroxy-3-nitro-phenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)C=CC2=NC=CN2

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)/C=C/C2=NC=CN2

InChI

InChI=1S/C12H9N3O4/c16-10(4-5-11-13-6-7-14-11)8-2-1-3-9(12(8)17)15(18)19/h1-7,17H,(H,13,14)/b5-4+