EAB
Summary
| Name: | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID |
| Formula: | C15 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 269.299 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3-{(E)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[3-[3-(aminomethyl)phenyl]diazenylphenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)Cc2cccc(/N=N/c1cccc(c1)CN)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NCc1cccc(c1)N=Nc2cccc(CC(O)=O)c2 |
| SMILES | CACTVS | 3.341 | NCc1cccc(c1)N=Nc2cccc(CC(O)=O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)/N=N/c2cccc(c2)CN)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)/b18-17+ |
| InChIKey | InChI | 1.03 | RHNJRPYVLIXHAK-ISLYRVAYSA-N |
