B4H
Summary
| Name: | N-methylidene-3-nitrobenzamide |
| Formula: | C8 H6 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 178.145 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methylidene-3-nitrobenzamide |
| OpenEye OEToolkits | 1.9.2 | N-methylidene-3-nitro-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=[N+](c1cc(ccc1)C(=O)\N=C)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C8H6N2O3/c1-9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H2 |
| InChIKey | InChI | 1.03 | JQVXMNLKFSQZAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1cccc(c1)C(=O)N=C |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1cccc(c1)C(=O)N=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C=NC(=O)c1cccc(c1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.9.2 | C=NC(=O)c1cccc(c1)[N+](=O)[O-] |
