VYZ
Summary
Name: | N-(4-nitrophenyl)acetamide |
Formula: | C8 H8 N2 O3 |
Formal charge: | 0 |
Formula weight: | 180.161 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-(4-nitrophenyl)acetamide |
OpenEye OEToolkits | 2.0.7 | ~{N}-(4-nitrophenyl)ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C)Nc1ccc(cc1)N(=O)=O |
InChI | InChI | 1.06 | InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11) |
InChIKey | InChI | 1.06 | NQRLPDFELNCFHW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)[N](=O)=O |
SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)[N](=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)N(=O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)N(=O)=O |