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Details

Stereochemistry ACHIRAL
Molecular Formula C18H20N4O5
Molecular Weight 372.3752
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 3-(4-(methylamino)-3-nitro-N-(pyridin-2-yl)benzamido)propanoate

SMILES

CCOC(=O)CCN(C(=O)C1=CC(=C(NC)C=C1)[N+]([O-])=O)C2=CC=CC=N2

InChI

InChIKey=FYSFQBXGCDIVMA-UHFFFAOYSA-N
InChI=1S/C18H20N4O5/c1-3-27-17(23)9-11-21(16-6-4-5-10-20-16)18(24)13-7-8-14(19-2)15(12-13)22(25)26/h4-8,10,12,19H,3,9,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H20N4O5
Molecular Weight 372.3752
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 19:47:06 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:06 GMT 2023
Record UNII
VUG97NHF8C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 3-(4-(methylamino)-3-nitro-N-(pyridin-2-yl)benzamido)propanoate
Common Name English
Ethyl 3-[[4-(methylamino)-3-nitrobenzoyl](pyridin-2-yl)amino]propanoate
Systematic Name English
β-Alanine, N-[4-(methylamino)-3-nitrobenzoyl]-N-2-pyridinyl-, ethyl ester
Common Name English
N-[4-(Methylamino)-3-nitrobenzoyl]-N-2-pyridinyl-β-alanine ethyl ester
Systematic Name English
Code System Code Type Description
CAS
429659-01-8
Created by admin on Sat Dec 16 19:47:06 GMT 2023 , Edited by admin on Sat Dec 16 19:47:06 GMT 2023
PRIMARY
FDA UNII
VUG97NHF8C
Created by admin on Sat Dec 16 19:47:06 GMT 2023 , Edited by admin on Sat Dec 16 19:47:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID501025573
Created by admin on Sat Dec 16 19:47:06 GMT 2023 , Edited by admin on Sat Dec 16 19:47:06 GMT 2023
PRIMARY
PUBCHEM
11079230
Created by admin on Sat Dec 16 19:47:06 GMT 2023 , Edited by admin on Sat Dec 16 19:47:06 GMT 2023
PRIMARY
Related Record Type Details
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