NVS

7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one

Created:	2016-02-01
Last modified:	2016-06-29

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1 entries where NVS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of NVS

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Chemical Component Summary
Name	7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one
Systematic Name (OpenEye OEToolkits)	3-(4-methoxyphenyl)-7-oxidanyl-4~{H}-1,3-benzoxazin-2-one
Formula	C₁₅ H₁₃ N O₄
Molecular Weight	271.268
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N2(C(Oc1cc(O)ccc1C2)=O)c3ccc(cc3)OC
SMILES	CACTVS	3.385	COc1ccc(cc1)N2Cc3ccc(O)cc3OC2=O
SMILES	OpenEye OEToolkits	2.0.4	COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)N2Cc3ccc(O)cc3OC2=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O
InChI	InChI	1.03	InChI=1S/C15H13NO4/c1-19-13-6-3-11(4-7-13)16-9-10-2-5-12(17)8-14(10)20-15(16)18/h2-8,17H,9H2,1H3
InChIKey	InChI	1.03	IBMJKJJMRYHRNQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11492761

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