Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L39MZR
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| Ligand Name |
3-O-Methyltolcapone
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| Synonyms |
3-O-Methyltolcapone; 134612-80-9; (4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone; Ro 40-7591; (4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone; 4-Hydroxy-3-methoxy-4'-methyl-5-nitrobenzophenone; F90Q84HN93; Methanone, (4-hydroxy-3-methoxy-5-nitrophenyl)(4-methylphenyl)-; UNII-F90Q84HN93; (4-Hydroxy-3-methoxy-5-nitrophenyl)(4-methylphenyl)methanone; 3-METHOXYTOLCAPONE; METHYLTOLCAPONE, 3-O-; SCHEMBL7373740; DTXSID30158826; CHEBI:143473; MFCD12545750; ZINC77303491; AKOS025146460; DS-5552; Ro-40-7591; DB-013718; HY-100642; CS-0019879; FT-0672265; C72371; (4-Hydroxy-3-methoxy-5-nitro-phenyl)-p-tolyl-; Q27277819; LVE
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| Structure |
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Download2D MOL |
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| Formula |
C15H13NO5
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| Canonical SMILES |
CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]
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| InChI |
1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3
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| InChIKey |
VCNSNEJUGBEWTA-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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