3S9
Summary
| Name: | benzyl (cyanomethyl)carbamate |
| Formula: | C10 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 190.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | benzyl (cyanomethyl)carbamate |
| OpenEye OEToolkits | 1.7.6 | (phenylmethyl) N-(cyanomethyl)carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CCNC(=O)OCc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,7-8H2,(H,12,13) |
| InChIKey | InChI | 1.03 | DVUXKEFDAGQPQU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCC#N)OCc1ccccc1 |
| SMILES | CACTVS | 3.385 | O=C(NCC#N)OCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)COC(=O)NCC#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)COC(=O)NCC#N |
