23N
Summary
| Name: | (2R)-2-benzyl-3-nitropropanoic acid |
| Formula: | C10 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 209.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-benzyl-3-nitropropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-(nitromethyl)-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)CC(C(=O)O)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@H](Cc1ccccc1)C[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC(=O)[CH](Cc1ccccc1)C[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(C[N+](=O)[O-])C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | GCXOTBPCUQHSAO-SECBINFHSA-N |
