WCU
Summary
| Name: | ~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine |
| Formula: | C13 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 228.247 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12N2O2/c14-10-3-1-2-4-11(10)15-9-5-6-12-13(7-9)17-8-16-12/h1-7,15H,8,14H2 |
| InChIKey | InChI | 1.03 | QMKMDIGODMXIIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccccc1Nc2ccc3OCOc3c2 |
| SMILES | CACTVS | 3.385 | Nc1ccccc1Nc2ccc3OCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)N)Nc2ccc3c(c2)OCO3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)N)Nc2ccc3c(c2)OCO3 |
