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Details

Stereochemistry ACHIRAL
Molecular Formula C14H11NO4
Molecular Weight 257.2414
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-NITROBENZYLBENZOATE

SMILES

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

InChI

InChIKey=IFNWVKHDWYPTRH-UHFFFAOYSA-N
InChI=1S/C14H11NO4/c16-14(11-6-2-1-3-7-11)19-10-12-8-4-5-9-13(12)15(17)18/h1-9H,10H2

HIDE SMILES / InChI

Molecular Formula C14H11NO4
Molecular Weight 257.2414
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 Sat Dec 16 01:56:36 GMT 2023
Edited
by admin
on Sat Dec 16 01:56:36 GMT 2023
Record UNII
I88OOH313Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-NITROBENZYLBENZOATE
Common Name English
BENZENEMETHANOL, 2-NITRO-, 1-BENZOATE
Systematic Name English
BENZENEMETHANOL, 2-NITRO-, BENZOATE (ESTER)
Common Name English
2-NITROBENZYL BENZOATE
Systematic Name English
O-NITROBENZYL BENZOATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90149391
Created by admin on Sat Dec 16 01:56:36 GMT 2023 , Edited by admin on Sat Dec 16 01:56:36 GMT 2023
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CAS
110786-18-0
Created by admin on Sat Dec 16 01:56:36 GMT 2023 , Edited by admin on Sat Dec 16 01:56:36 GMT 2023
PRIMARY
PUBCHEM
135722
Created by admin on Sat Dec 16 01:56:36 GMT 2023 , Edited by admin on Sat Dec 16 01:56:36 GMT 2023
PRIMARY
FDA UNII
I88OOH313Y
Created by admin on Sat Dec 16 01:56:36 GMT 2023 , Edited by admin on Sat Dec 16 01:56:36 GMT 2023
PRIMARY