EQ7

?

Summary

Name:8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one
Formula:C20 H16 Cl3 N3 O4
Formal charge:0
Molecular weight:468.718 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one
OpenEye OEToolkits2.0.68-chloranyl-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitro-1~{H}-quinolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(CC(C)C)C=2C(c1c(ccc(c1NC=2Nc3ccc(cc3Cl)Cl)Cl)N(=O)=O)=O
InChIInChI1.03InChI=1S/C20H16Cl3N3O4/c1-9(2)7-15(27)17-19(28)16-14(26(29)30)6-4-11(22)18(16)25-20(17)24-13-5-3-10(21)8-12(13)23/h3-6,8-9H,7H2,1-2H3,(H2,24,25,28)
InChIKeyInChI1.03LRTXIQCBQIKIOH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)CC(=O)C1=C(Nc2ccc(Cl)cc2Cl)Nc3c(Cl)ccc(c3C1=O)[N](=O)=O
SMILESCACTVS3.385CC(C)CC(=O)C1=C(Nc2ccc(Cl)cc2Cl)Nc3c(Cl)ccc(c3C1=O)[N](=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)CC(=O)C1=C(Nc2c(ccc(c2C1=O)N(=O)=O)Cl)Nc3ccc(cc3Cl)Cl
SMILESOpenEye OEToolkits2.0.6CC(C)CC(=O)C1=C(Nc2c(ccc(c2C1=O)N(=O)=O)Cl)Nc3ccc(cc3Cl)Cl