LM7

1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione

Created:	2019-03-04
Last modified:	2019-06-26

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1 entries where LM7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of LM7

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Chemical Component Summary
Name	1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	1-(3-nitro-4-oxidanyl-phenyl)quinazoline-2,4-dione
Formula	C₁₄ H₉ N₃ O₅
Molecular Weight	299.238
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=[N+]([O-])c1cc(ccc1O)N3c2ccccc2C(NC3=O)=O
SMILES	CACTVS	3.385	Oc1ccc(cc1[N+]([O-])=O)N2C(=O)NC(=O)c3ccccc23
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1[N+]([O-])=O)N2C(=O)NC(=O)c3ccccc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O
InChI	InChI	1.03	InChI=1S/C14H9N3O5/c18-12-6-5-8(7-11(12)17(21)22)16-10-4-2-1-3-9(10)13(19)15-14(16)20/h1-7,18H,(H,15,19,20)
InChIKey	InChI	1.03	YVQCKIRAVMSRGN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	138454260

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