45M
Summary
| Name: | 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide |
| Formula: | C11 H12 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 282.136 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide |
| OpenEye OEToolkits | 1.9.2 | 4-bromanyl-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NNC1=NCCC1)c2ccc(Br)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H12BrN3O/c12-9-5-3-8(4-6-9)11(16)15-14-10-2-1-7-13-10/h3-6H,1-2,7H2,(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.03 | QKAHAXIACNFPOK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(cc1)C(=O)NNC2=NCCC2 |
| SMILES | CACTVS | 3.385 | Brc1ccc(cc1)C(=O)NNC2=NCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=O)NNC2=NCCC2)Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=O)NNC2=NCCC2)Br |
