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Details

Stereochemistry RACEMIC
Molecular Formula C20H24N2O4
Molecular Weight 356.4156
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-NITROMETHOPHOLINE

SMILES

COC1=C(OC)C=C2C(CCC3=CC=C(C=C3)[N+]([O-])=O)N(C)CCC2=C1

InChI

InChIKey=AWDKLHCXDUACLM-UHFFFAOYSA-N
InChI=1S/C20H24N2O4/c1-21-11-10-15-12-19(25-2)20(26-3)13-17(15)18(21)9-6-14-4-7-16(8-5-14)22(23)24/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C20H24N2O4
Molecular Weight 356.4156
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:11:48 GMT 2025
Edited
by admin
on Mon Mar 31 22:11:48 GMT 2025
Record UNII
86JU2L138Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-DECHLORO-4'-NITROMETHOPHOLINE
Preferred Name English
4'-NITROMETHOPHOLINE
Common Name English
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-(2-(4-NITROPHENYL)ETHYL)-
Systematic Name English
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-(P-NITROPHENETHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80981186
Created by admin on Mon Mar 31 22:11:48 GMT 2025 , Edited by admin on Mon Mar 31 22:11:48 GMT 2025
PRIMARY
CAS
63937-57-5
Created by admin on Mon Mar 31 22:11:48 GMT 2025 , Edited by admin on Mon Mar 31 22:11:48 GMT 2025
PRIMARY
PUBCHEM
45492
Created by admin on Mon Mar 31 22:11:48 GMT 2025 , Edited by admin on Mon Mar 31 22:11:48 GMT 2025
PRIMARY
FDA UNII
86JU2L138Q
Created by admin on Mon Mar 31 22:11:48 GMT 2025 , Edited by admin on Mon Mar 31 22:11:48 GMT 2025
PRIMARY