U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Approval Year

Unknown
139594
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
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966