QNM

2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid

Created:	2013-06-03
Last modified:	2014-05-08

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1 entries where QNM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	6

2D diagram of QNM

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Chemical Component Summary
Name	2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid
Systematic Name (OpenEye OEToolkits)	2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid
Formula	C₁₃ H₁₂ N₂ O₅
Molecular Weight	276.245
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CNC(=O)C=2C(=O)c1c(cccc1)N(C=2O)C
SMILES	CACTVS	3.370	CN1C(=C(C(=O)NCC(O)=O)C(=O)c2ccccc12)O
SMILES	OpenEye OEToolkits	1.7.6	CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O
Canonical SMILES	CACTVS	3.370	CN1C(=C(C(=O)NCC(O)=O)C(=O)c2ccccc12)O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O
InChI	InChI	1.03	InChI=1S/C13H12N2O5/c1-15-8-5-3-2-4-7(8)11(18)10(13(15)20)12(19)14-6-9(16)17/h2-5,20H,6H2,1H3,(H,14,19)(H,16,17)
InChIKey	InChI	1.03	CRTHWBYRFGFTNO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16038403

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