Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3 |
InChI | InChI | 1.03 | InChI=1S/C17H14N2O4/c20-15-13(14(16(21)22)18-17(23)19-15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-5,7,9H,6,8H2,(H,21,22)(H2,18,19,20,23) |
InChIKey | InChI | 1.03 | KSYLGIQAFNZWOO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=C(CCc2ccc3ccccc3c2)C(=O)NC(=O)N1 |
SMILES | CACTVS | 3.370 | OC(=O)C1=C(CCc2ccc3ccccc3c2)C(=O)NC(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O |