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(Z)-2-(3-(3-(4-Chlorophenylamino)-2-cyano-3-oxoprop-1-enyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
结构式
基本信息
Empirical Formula【经验(实验)分子式】 | C23H18ClN3O3 |
Molecular weight | 419.86 |
MDL number | MFCD02940694 |
PubChem Substance ID【PubChem化学物质编号】 | 329827542 |
Other Notes【其他说明】 | Please note that sigma-aldrich provides this product to early discovery researchers as part of a collection of unique chemicals. sigma-aldrich does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final. NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN SIGMA-ALDRICH′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN SIGMA-ALDRICH AND BUYER, SIGMA-ALDRICH SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY; (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE; OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY; WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE. |
产品性质
SMILES string | CC1=CC(/C=C(C#N)\C(NC2=CC=C(C=C2)Cl)=O)=C(C)N1C(C=CC=C3)=C3C(O)=O |
InChI | 1S/C23H18ClN3O3/c1-14-11-16(15(2)27(14)21-6-4-3-5-20(21)23(29)30)12-17(13-25)22(28)26-19-9-7-18(24)8-10-19/h3-12H,1-2H3,(H,26,28)(H,29,30)/b17-12- |
InChI key | UFXNXPYSNUBHPZ-ATVHPVEESA-N |
安全信息
Storage Class Code【储存分类代码】 | 13 - Non Combustible Solids |
WGK | WGK 3 |