IW4
Summary
| Name: | 4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline |
| Formula: | C14 H12 Br2 N2 |
| Formal charge: | 0 |
| Formula weight: | 368.066 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline |
| OpenEye OEToolkits | 1.6.1 | 4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromo-aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Brc1cc(cc(Br)c1N)\C=C\c2cccc(N)c2 |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1cccc(/C=C/c2cc(Br)c(N)c(Br)c2)c1 |
| SMILES | CACTVS | 3.352 | Nc1cccc(C=Cc2cc(Br)c(N)c(Br)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)N)C=Cc2cc(c(c(c2)Br)N)Br |
| InChI | InChI | 1.03 | InChI=1S/C14H12Br2N2/c15-12-7-10(8-13(16)14(12)18)5-4-9-2-1-3-11(17)6-9/h1-8H,17-18H2/b5-4+ |
| InChIKey | InChI | 1.03 | KYCYQIDURIMUDR-SNAWJCMRSA-N |
