GNM
Summary
| Name: | 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Formula: | C10 H6 Br N O3 |
| Formal charge: | 0 |
| Formula weight: | 268.064 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 8-bromanyl-4-oxidanylidene-1~{H}-quinoline-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(c1c(C(C(C(O)=O)=CN1)=O)cc2)Br |
| InChI | InChI | 1.03 | InChI=1S/C10H6BrNO3/c11-7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.03 | NKUGXZLINWIUOR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CNc2c(Br)cccc2C1=O |
| SMILES | CACTVS | 3.385 | OC(=O)C1=CNc2c(Br)cccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O |
