4NC
Summary
Name: | 4-NITROCATECHOL |
Formula: | C6 H5 N O4 |
Formal charge: | 0 |
Formula weight: | 155.108 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 4-nitrobenzene-1,2-diol |
OpenEye OEToolkits | 1.5.0 | 4-nitrobenzene-1,2-diol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cc(O)c(O)cc1 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1O)[N+]([O-])=O |
SMILES | CACTVS | 3.341 | Oc1ccc(cc1O)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[N+](=O)[O-])O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[N+](=O)[O-])O)O |
InChI | InChI | 1.03 | InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H |
InChIKey | InChI | 1.03 | XJNPNXSISMKQEX-UHFFFAOYSA-N |