A1HZ3
Summary
| Name: | (5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione |
| Formula: | C13 H11 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 289.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H11N3O5/c17-11-5-6-13(12(18)14-11)7-9(15-21-13)8-3-1-2-4-10(8)16(19)20/h1-4H,5-7H2,(H,14,17,18)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | RDQBZCUTPQCLBV-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC[C@]2(CC(=NO2)c3ccccc3[N](=O)=O)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1CC[C]2(CC(=NO2)c3ccccc3[N](=O)=O)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C2=NO[C@]3(C2)CCC(=O)NC3=O)N(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C2=NOC3(C2)CCC(=O)NC3=O)N(=O)=O |
