A1IAU
Summary
| Name: | 2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid |
| Synonyms: | 2-amino-3-hydroxy-5-(3-hydroxyphenyl)benzoic acid |
| Formula: | C13 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 245.231 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H11NO4/c14-12-10(13(17)18)5-8(6-11(12)16)7-2-1-3-9(15)4-7/h1-6,15-16H,14H2,(H,17,18) |
| InChIKey | InChI | 1.06 | FLFZIGXNPJELGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1c(O)cc(cc1C(O)=O)c2cccc(O)c2 |
| SMILES | CACTVS | 3.385 | Nc1c(O)cc(cc1C(O)=O)c2cccc(O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O)c2cc(c(c(c2)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O)c2cc(c(c(c2)O)N)C(=O)O |
