N1Y
Summary
| Name: | 2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine |
| Formula: | C10 H11 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 254.673 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine |
| OpenEye OEToolkits | 1.7.6 | 2-chloranyl-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)/C=C1\NCCN1Cc2cnc(Cl)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H11ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-2,5,7,12H,3-4,6H2/b10-7+ |
| InChIKey | InChI | 1.03 | ALNDHUQPXHHNON-JXMROGBWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)\C=C\1NCCN\1Cc2ccc(Cl)nc2 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)C=C1NCCN1Cc2ccc(Cl)nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1CN\2CCN/C2=C\[N+](=O)[O-])Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1CN2CCNC2=C[N+](=O)[O-])Cl |
