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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H13NO4
Molecular Weight 175.1824
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-METHYL-5-NITROVALERATE, (S)-

SMILES

COC(=O)[C@@H](C)CCC[N+]([O-])=O

InChI

InChIKey=ATTZGTUZIYBPLH-LURJTMIESA-N
InChI=1S/C7H13NO4/c1-6(7(9)12-2)4-3-5-8(10)11/h6H,3-5H2,1-2H3/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H13NO4
Molecular Weight 175.1824
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:51:16 GMT 2025
Edited
by admin
on Mon Mar 31 20:51:16 GMT 2025
Record UNII
47UWM29435
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 2-METHYL-5-NITROVALERATE, (S)-
Systematic Name English
PENTANOIC ACID, 2-METHYL-5-NITRO-, METHYL ESTER, (2S)-
Preferred Name English
VALERIC ACID, 2-METHYL-5-NITRO-, METHYL ESTER, (S)-
Systematic Name English
Code System Code Type Description
CAS
19330-92-8
Created by admin on Mon Mar 31 20:51:16 GMT 2025 , Edited by admin on Mon Mar 31 20:51:16 GMT 2025
PRIMARY
FDA UNII
47UWM29435
Created by admin on Mon Mar 31 20:51:16 GMT 2025 , Edited by admin on Mon Mar 31 20:51:16 GMT 2025
PRIMARY
PUBCHEM
119026066
Created by admin on Mon Mar 31 20:51:16 GMT 2025 , Edited by admin on Mon Mar 31 20:51:16 GMT 2025
PRIMARY