5QR
Summary
| Name: | 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid |
| Formula: | C14 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 272.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12N2O4/c1-16-8-10(5-6-12(16)17)13(18)15-11-4-2-3-9(7-11)14(19)20/h2-8H,1H3,(H,15,18)(H,19,20) |
| InChIKey | InChI | 1.03 | BLNCOMMFECMGRC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(=O)O |
