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Details

Stereochemistry ACHIRAL
Molecular Formula C18H15NO3
Molecular Weight 293.3166
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 6-(2-(HYDROXY(OXIDO)AMINO)BENZYLIDENE)-6,7,8,9-TETRAHYDRO-5H-BENZO(A)CYCLOHEPTEN-5-ONE

SMILES

[O-][N+](=O)C1=CC=CC=C1\C=C2/CCCC3=CC=CC=C3C2=O

InChI

InChIKey=DQBUWUODVGZKAI-NTCAYCPXSA-N
InChI=1S/C18H15NO3/c20-18-15(9-5-8-13-6-1-3-10-16(13)18)12-14-7-2-4-11-17(14)19(21)22/h1-4,6-7,10-12H,5,8-9H2/b15-12+

HIDE SMILES / InChI

Molecular Formula C18H15NO3
Molecular Weight 293.3166
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:50:45 GMT 2025
Edited
by admin
on Tue Apr 01 19:50:45 GMT 2025
Record UNII
9TSU8KSC3N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(2-(HYDROXY(OXIDO)AMINO)BENZYLIDENE)-6,7,8,9-TETRAHYDRO-5H-BENZO(A)CYCLOHEPTEN-5-ONE
Systematic Name English
NSC-250830
Preferred Name English
5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-[(2-nitrophenyl)methylene]-
Systematic Name English
(6E)-6,7,8,9-Tetrahydro-6-[(2-nitrophenyl)methylene]-5H-benzocyclohepten-5-one
Systematic Name English
5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-[(2-nitrophenyl)methylene]-, (6E)-
Systematic Name English
Code System Code Type Description
CAS
224948-29-2
Created by admin on Tue Apr 01 19:50:45 GMT 2025 , Edited by admin on Tue Apr 01 19:50:45 GMT 2025
PRIMARY
FDA UNII
9TSU8KSC3N
Created by admin on Tue Apr 01 19:50:45 GMT 2025 , Edited by admin on Tue Apr 01 19:50:45 GMT 2025
PRIMARY
PUBCHEM
5476659
Created by admin on Tue Apr 01 19:50:45 GMT 2025 , Edited by admin on Tue Apr 01 19:50:45 GMT 2025
PRIMARY
CAS
52223-78-6
Created by admin on Tue Apr 01 19:50:45 GMT 2025 , Edited by admin on Tue Apr 01 19:50:45 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
NSC
250830
Created by admin on Tue Apr 01 19:50:45 GMT 2025 , Edited by admin on Tue Apr 01 19:50:45 GMT 2025
PRIMARY