JP5
Summary
| Name: | (phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate |
| Formula: | C12 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 248.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O4/c15-10-6-9(11(16)14-10)13-12(17)18-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,14,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | QRQMHYISDDHZBY-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1C[C@H](NC(=O)OCc2ccccc2)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1C[CH](NC(=O)OCc2ccccc2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)N[C@H]2CC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)NC2CC(=O)NC2=O |
