6TJ
Summary
| Name: | 3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid |
| Formula: | C15 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 253.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H11NO3/c17-14-13-10(5-4-8-12(13)15(18)19)9-16(14)11-6-2-1-3-7-11/h1-8H,9H2,(H,18,19) |
| InChIKey | InChI | 1.03 | MGTJLBBOVQWHLG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc2CN(C(=O)c12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc2CN(C(=O)c12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)N2Cc3cccc(c3C2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)N2Cc3cccc(c3C2=O)C(=O)O |
