52F
Summary
Name: | 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid |
Formula: | C11 H10 N2 O3 |
Formal charge: | 0 |
Formula weight: | 218.209 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid |
OpenEye OEToolkits | 1.9.2 | 3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2ccc1NC(=O)C(CCC(O)=O)=Nc1c2 |
InChI | InChI | 1.03 | InChI=1S/C11H10N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,13,16)(H,14,15) |
InChIKey | InChI | 1.03 | HROJWOXFEZYMGL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC1=Nc2ccccc2NC1=O |
SMILES | CACTVS | 3.385 | OC(=O)CCC1=Nc2ccccc2NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O |