ISDA: 8RDQ

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: YQO

IUPAC Name: (5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C1CC[C@]2(CC(c3ccccc3)=NO2)C(=O)N1

InChI: InChI=1S/C13H12N2O3/c16-11-6-7-13(12(17)14-11)8-10(15-18-13)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,16,17)/t13-/m0/s1

InChI Key: BTZHPUHNRHIAQE-ZDUSSCGKSA-N

Physiochemical Descriptor:

Formula: C13 H10 Cl2 N2 O3

Molecular weight: 313.136

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 1

Rotatable Bonds: 1

Heavy Atoms: 20

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	(5~{S})-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C13H10Cl2N2O3/c14-7-1-2-8(9(15)5-7)10-6-13(20-17-10)4-3-11(18)16-12(13)19/h1-2,5H,3-4,6H2,(H,16,18,19)/t13-/m0/s1
InChIKey	InChI	1.06	KFAVXUHSPFYSLI-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc(c(Cl)c1)C2=NO[C@@]3(CCC(=O)NC3=O)C2
SMILES	CACTVS	3.385	Clc1ccc(c(Cl)c1)C2=NO[C]3(CCC(=O)NC3=O)C2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)Cl)C2=NO[C@]3(C2)CCC(=O)NC3=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)Cl)C2=NOC3(C2)CCC(=O)NC3=O