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Details

Stereochemistry MIXED
Molecular Formula C17H15NO6
Molecular Weight 329.3041
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0
Stereo Comments Assumed mixed

SHOW SMILES / InChI
Structure of 3-HYDROXY-2-METHOXY-3-(NITROMETHYL)-2-PHENYLCHROMEN-4-ONE

SMILES

COC1(OC2=CC=CC=C2C(=O)C1(O)C[N+]([O-])=O)C3=CC=CC=C3

InChI

InChIKey=PBZFEPNRSHWVMA-UHFFFAOYSA-N
InChI=1S/C17H15NO6/c1-23-17(12-7-3-2-4-8-12)16(20,11-18(21)22)15(19)13-9-5-6-10-14(13)24-17/h2-10,20H,11H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H15NO6
Molecular Weight 329.3041
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:12:54 GMT 2023
Edited
by admin
on Sat Dec 16 13:12:54 GMT 2023
Record UNII
032IK3ZVSW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-2-METHOXY-3-(NITROMETHYL)-2-PHENYLCHROMEN-4-ONE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-3-HYDROXY-2-METHOXY-3-(NITROMETHYL)-2-PHENYL-
Systematic Name English
NSC-102032
Code English
Code System Code Type Description
EPA CompTox
DTXSID30990667
Created by admin on Sat Dec 16 13:12:54 GMT 2023 , Edited by admin on Sat Dec 16 13:12:54 GMT 2023
PRIMARY
CAS
70460-54-7
Created by admin on Sat Dec 16 13:12:54 GMT 2023 , Edited by admin on Sat Dec 16 13:12:54 GMT 2023
PRIMARY
PUBCHEM
265701
Created by admin on Sat Dec 16 13:12:54 GMT 2023 , Edited by admin on Sat Dec 16 13:12:54 GMT 2023
PRIMARY
FDA UNII
032IK3ZVSW
Created by admin on Sat Dec 16 13:12:54 GMT 2023 , Edited by admin on Sat Dec 16 13:12:54 GMT 2023
PRIMARY
NSC
102032
Created by admin on Sat Dec 16 13:12:54 GMT 2023 , Edited by admin on Sat Dec 16 13:12:54 GMT 2023
PRIMARY