2-[(E)-2-(dimethylamino)ethenyl]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[(E)-2-(dimethylamino)ethenyl]-3,5-dinitro-benzoic acid Openeye Name: 2-[(E)-2-(dimethylamino)vinyl]-3,5-dinitro-benzoic acid CAS Name: 2-[(E)-2-(dimethylamino)ethenyl]-3,5-dinitrobenzoic acid IUPAC Name: 2-[(E)-2-(dimethylamino)ethenyl]-3,5-dinitrobenzoic acid Traditional Name: 2-[(E)-2-(dimethylamino)vinyl]-3,5-dinitro-benzoic acid Formula: C11H11N3O6 MolecularWeight: 281.22154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=CC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)/C=C/C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O6/c1-12(2)4-3-8-9(11(15)16)5-7(13(17)18)6-10(8)14(19)20/h3-6H,1-2H3,(H,15,16)/b4-3+