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 |