55R
Summary
| Name: | 2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid |
| Formula: | C13 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 242.23 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid |
| OpenEye OEToolkits | 1.9.2 | 2-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2c(N/N=C1/C=CC(=O)C=C1)cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,15H,(H,17,18) |
| InChIKey | InChI | 1.03 | FBVSMDPNVYJNON-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1NN=C2C=CC(=O)C=C2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1NN=C2C=CC(=O)C=C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C(=O)O)NN=C2C=CC(=O)C=C2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C(=O)O)NN=C2C=CC(=O)C=C2 |
