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Summary

Name:5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
Formula:C17 H12 Cl N O5
Formal charge:0
Molecular weight:345.734 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
OpenEye OEToolkits1.7.05-[(5-chloro-2-oxo-3H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cc2c(cc1)N(C(=O)C2)Cc3ccc4OCOc4c3C(=O)O
SMILES_CANONICALCACTVS3.370OC(=O)c1c(CN2C(=O)Cc3cc(Cl)ccc23)ccc4OCOc14
SMILESCACTVS3.370OC(=O)c1c(CN2C(=O)Cc3cc(Cl)ccc23)ccc4OCOc14
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4
SMILESOpenEye OEToolkits1.7.0c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4
InChIInChI1.03InChI=1S/C17H12ClNO5/c18-11-2-3-12-10(5-11)6-14(20)19(12)7-9-1-4-13-16(24-8-23-13)15(9)17(21)22/h1-5H,6-8H2,(H,21,22)
InChIKeyInChI1.03ZWUIUQQUOGIKGU-UHFFFAOYSA-N