A1IKB
Summary
| Name: | 5-[[8-(oxidanylamino)-8-oxidanylidene-octyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
| Synonyms: | 5-[[8-(hydroxyamino)-8-oxooctyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
| Formula: | C21 H24 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 396.44 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[[8-(oxidanylamino)-8-oxidanylidene-octyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H24N4O4/c26-19(25-29)6-4-2-1-3-5-10-23-20-16-9-11-22-13-17(16)15-8-7-14(21(27)28)12-18(15)24-20/h7-9,11-13,29H,1-6,10H2,(H,23,24)(H,25,26)(H,27,28) |
| InChIKey | InChI | 1.06 | RLZROBMWZRHTER-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)CCCCCCCNc1nc2cc(ccc2c3cnccc13)C(O)=O |
| SMILES | CACTVS | 3.385 | ONC(=O)CCCCCCCNc1nc2cc(ccc2c3cnccc13)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)nc(c3c2cncc3)NCCCCCCCC(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)nc(c3c2cncc3)NCCCCCCCC(=O)NO |
