D59

N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide

Created:	2014-12-24
Last modified:	2015-05-13

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1 entries where D59 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of D59

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Chemical Component Summary
Name	N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
Systematic Name (OpenEye OEToolkits)	N-[3,5-bis(chloranyl)phenyl]-2-methyl-3-nitro-benzamide
Formula	C₁₄ H₁₀ Cl₂ N₂ O₃
Molecular Weight	325.147
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc2cc(NC(=O)c1cccc([N+]([O-])=O)c1C)cc(Cl)c2
SMILES	CACTVS	3.385	Cc1c(cccc1[N+]([O-])=O)C(=O)Nc2cc(Cl)cc(Cl)c2
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl
Canonical SMILES	CACTVS	3.385	Cc1c(cccc1[N+]([O-])=O)C(=O)Nc2cc(Cl)cc(Cl)c2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl
InChI	InChI	1.03	InChI=1S/C14H10Cl2N2O3/c1-8-12(3-2-4-13(8)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19)
InChIKey	InChI	1.03	NKIJNFMSYDSAJK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	799096
ChEMBL	CHEMBL217893

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