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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C14394
pubchemid 17395394
name 4-Nitrotoluene
formula C7H7NO2
structure
Isomeric_Smiles CC(C)(C)NC(=O)CNC(=O)C1=CSC(=N1)C2=CC=C(C=C2)OC
Cannoical_Smiles CC(C)(C)NC(=O)CNC(=O)C1=CSC(=N1)C2=CC=C(C=C2)OC
Gotenzyme_Smiles Cc1ccc([N+](=O)[O-])cc1