C.I. Pigment Orange 36
| Chemical identification | |
|---|---|
| CAS identifier | 12236-62-3 |
| Pubchem identifier | 25535 |
| DSSTox identifier | DTXSID9041732 |
| IUPAC name | 2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | O=C(C(C(=O)C)/N=N/c1ccc(cc1[N+](=O)[O-])Cl)Nc1ccc2c(c1)[nH]c(=O)[nH]2 |
| InChI | InChI=1S/C17H13ClN6O5/c1-8(25)15(23-22-12-4-2-9(18)6-14(12)24(28)29)16(26)19-10-3-5-11-13(7-10)21-17(27)20-11/h2-7,15H,1H3,(H,19,26)(H2,20,21,27)/b23-22+ |
| InChIKey | DLQMNSDNQWLFSS-GHVJWSGMSA-N |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
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