BXG

2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide

Created:	2017-09-01
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	17

2D diagram of BXG

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Chemical Component Summary
Name	2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide
Systematic Name (OpenEye OEToolkits)	2-chloranyl-~{N}-(6-methoxyquinolin-4-yl)-5-nitro-benzamide
Formula	C₁₇ H₁₂ Cl N₃ O₄
Molecular Weight	357.748
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cc(ccc1Cl)[N+]([O-])=O)C(Nc2ccnc3c2cc(cc3)OC)=O
SMILES	CACTVS	3.385	COc1ccc2nccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)c2c1
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc2c(c1)c(ccn2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	COc1ccc2nccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccc2c(c1)c(ccn2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C17H12ClN3O4/c1-25-11-3-5-15-13(9-11)16(6-7-19-15)20-17(22)12-8-10(21(23)24)2-4-14(12)18/h2-9H,1H3,(H,19,20,22)
InChIKey	InChI	1.03	CVTZAGCRUDYUGB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134160241

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