ND5
Summary
| Name: | 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid |
| Formula: | C10 H9 Br2 N O4 |
| Formal charge: | 0 |
| Formula weight: | 366.991 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H9Br2NO4/c11-7-3-6(10(16)8(12)4-7)5-13-17-2-1-9(14)15/h3-5,16H,1-2H2,(H,14,15)/b13-5+ |
| InChIKey | InChI | 1.03 | VPPGEQCITQLSNE-WLRTZDKTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCO\N=C\c1cc(Br)cc(Br)c1O |
| SMILES | CACTVS | 3.385 | OC(=O)CCON=Cc1cc(Br)cc(Br)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1/C=N/OCCC(=O)O)O)Br)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1C=NOCCC(=O)O)O)Br)Br |
