Q83
Summary
| Name: | 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid |
| Formula: | C15 H18 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 306.314 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H18N2O5/c18-14(4-2-1-3-5-15(19)20)16-9-8-11-6-7-12(17(21)22)10-13(11)16/h6-7,10H,1-5,8-9H2,(H,19,20) |
| InChIKey | InChI | 1.06 | YZWRRAZXWGNXFP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCC(=O)N1CCc2ccc(cc12)[N](=O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCC(=O)N1CCc2ccc(cc12)[N](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1N(=O)=O)N(CC2)C(=O)CCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1N(=O)=O)N(CC2)C(=O)CCCCCC(=O)O |
