A1ITO

(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide

Created:2024-11-08
Last modified:  2024-11-27

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count1
Bond Count34
Aromatic Bond Count12
2D diagram of A1ITO

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Chemical Component Summary

Name(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide
Synonyms(1R)-N-(3-chlorophenyl)-3-oxo-indane-1-carboxamide
Systematic Name (OpenEye OEToolkits)(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide
FormulaC16 H12 Cl N O2
Molecular Weight285.725
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Clc1cccc(NC(=O)[CH]2CC(=O)c3ccccc23)c1
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)C(CC2=O)C(=O)Nc3cccc(c3)Cl
Canonical SMILESCACTVS3.385 Clc1cccc(NC(=O)[C@@H]2CC(=O)c3ccccc23)c1
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3cccc(c3)Cl
InChIInChI1.06 InChI=1S/C16H12ClNO2/c17-10-4-3-5-11(8-10)18-16(20)14-9-15(19)13-7-2-1-6-12(13)14/h1-8,14H,9H2,(H,18,20)/t14-/m1/s1
InChIKeyInChI1.06 RFLUKYBYMRHLOS-CQSZACIVSA-N

Related Resource References

Resource NameReference
PubChem 172429211