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Details

Stereochemistry ACHIRAL
Molecular Formula C18H13NO5
Molecular Weight 323.2995
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3,4-DIPHENYL-5-NITRO-2-FUROATE

SMILES

COC(=O)C1=C(C(=C(O1)[N+]([O-])=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=AJKRLFVGAWNBKP-UHFFFAOYSA-N
InChI=1S/C18H13NO5/c1-23-18(20)16-14(12-8-4-2-5-9-12)15(17(24-16)19(21)22)13-10-6-3-7-11-13/h2-11H,1H3

HIDE SMILES / InChI

Molecular Formula C18H13NO5
Molecular Weight 323.2995
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:32:20 GMT 2025
Edited
by admin
on Mon Mar 31 21:32:20 GMT 2025
Record UNII
U4U7PB6ETC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-616361
Preferred Name English
METHYL 3,4-DIPHENYL-5-NITRO-2-FUROATE
Systematic Name English
2-FURANCARBOXYLIC ACID, 3,4-DIPHENYL-5-NITRO-, METHYL ESTER
Systematic Name English
3,4-DIPHENYL-5-NITRO-2-FURANCARBOXYLIC ACID METHYL ESTER
Systematic Name English
2-FURANCARBOXYLIC ACID, 5-NITRO-3,4-DIPHENYL-, METHYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10200110
Created by admin on Mon Mar 31 21:32:20 GMT 2025 , Edited by admin on Mon Mar 31 21:32:20 GMT 2025
PRIMARY
CAS
52101-39-0
Created by admin on Mon Mar 31 21:32:20 GMT 2025 , Edited by admin on Mon Mar 31 21:32:20 GMT 2025
PRIMARY
NSC
616361
Created by admin on Mon Mar 31 21:32:20 GMT 2025 , Edited by admin on Mon Mar 31 21:32:20 GMT 2025
PRIMARY
FDA UNII
U4U7PB6ETC
Created by admin on Mon Mar 31 21:32:20 GMT 2025 , Edited by admin on Mon Mar 31 21:32:20 GMT 2025
PRIMARY
PUBCHEM
40231
Created by admin on Mon Mar 31 21:32:20 GMT 2025 , Edited by admin on Mon Mar 31 21:32:20 GMT 2025
PRIMARY