E34
Summary
| Name: | ethyl 3,4-diaminobenzoate |
| Formula: | C9 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 180.204 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl 3,4-diaminobenzoate |
| OpenEye OEToolkits | 1.7.6 | ethyl 3,4-bis(azanyl)benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)c1cc(N)c(N)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,10-11H2,1H3 |
| InChIKey | InChI | 1.03 | NUJBTXFFJUGENN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)c1ccc(N)c(N)c1 |
| SMILES | CACTVS | 3.370 | CCOC(=O)c1ccc(N)c(N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1ccc(c(c1)N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1ccc(c(c1)N)N |
