5-[(E)-(3-methyl-1H-imidazol-2-ylidene)-oxidanyl-methyl]-3-nitro-cyclohexa-3,5-diene-1,2-dione hydrobromide

Systemtic Name: 5-[(E)-(3-methyl-1H-imidazol-2-ylidene)-oxidanyl-methyl]-3-nitro-cyclohexa-3,5-diene-1,2-dione hydrobromide Openeye Name: 5-[(E)-hydroxy-(3-methyl-1H-imidazol-2-ylidene)methyl]-3-nitro-1,2-benzoquinone hydrobromide CAS Name: 5-[(E)-hydroxy-(3-methyl-1H-imidazol-2-ylidene)methyl]-3-nitrocyclohexa-3,5-diene-1,2-dione hydrobromide IUPAC Name: 5-[(E)-hydroxy-(3-methyl-1H-imidazol-2-ylidene)methyl]-3-nitrocyclohexa-3,5-diene-1,2-dione hydrobromide Traditional Name: 5-[(E)-hydroxy-(1-methyl-4-imidazolin-2-ylidene)methyl]-3-nitro-o-benzoquinone hydrobromide Formula: C11H10BrN3O5 MolecularWeight: 344.1182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CNC1=C(C2=CC(=O)C(=O)C(=C2)[N+](=O)[O-])O.Br

Isomeric SMILES

CN\1C=CN/C1=C(/C2=CC(=O)C(=O)C(=C2)[N+](=O)[O-])\O.Br

InChI

InChI=1S/C11H9N3O5.BrH/c1-13-3-2-12-11(13)9(16)6-4-7(14(18)19)10(17)8(15)5-6;/h2-5,12,16H,1H3;1H/b11-9+;