LP7
Summary
Name: | ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate |
Formula: | C11 H12 N2 O5 |
Formal charge: | 0 |
Formula weight: | 252.223 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.6.1 | ethyl (3S)-1,4-dihydroxy-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxylate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | CCOC(=O)[C@H]1[C@@H](O)c2cccnc2N(O)C1=O |
SMILES | CACTVS | 3.352 | CCOC(=O)[CH]1[CH](O)c2cccnc2N(O)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCOC(=O)[C@H]1C(c2cccnc2N(C1=O)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CCOC(=O)C1C(c2cccnc2N(C1=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C11H12N2O5/c1-2-18-11(16)7-8(14)6-4-3-5-12-9(6)13(17)10(7)15/h3-5,7-8,14,17H,2H2,1H3/t7-,8-/m0/s1 |
InChIKey | InChI | 1.03 | MTVPGFFXVTZGIM-YUMQZZPRSA-N |