9UP
Summary
| Name: | methyl (7-carbamimidoylnaphthalen-1-yl)carbamate |
| Formula: | C13 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 243.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (7-carbamimidoylnaphthalen-1-yl)carbamate |
| OpenEye OEToolkits | 1.7.6 | methyl N-(7-carbamimidoylnaphthalen-1-yl)carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)Nc2cccc1ccc(cc12)C(=[N@H])N |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O2/c1-18-13(17)16-11-4-2-3-8-5-6-9(12(14)15)7-10(8)11/h2-7H,1H3,(H3,14,15)(H,16,17) |
| InChIKey | InChI | 1.03 | QRWVPIXNCDJOGY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)Nc1cccc2ccc(cc12)C(N)=N |
| SMILES | CACTVS | 3.370 | COC(=O)Nc1cccc2ccc(cc12)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\c1ccc2cccc(c2c1)NC(=O)OC)/N |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC(=O)Nc1cccc2c1cc(cc2)C(=N)N |
