Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O |
InChI | InChI | 1.03 | InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1 |
InChIKey | InChI | 1.03 | UEJJHQNACJXSKW-VIFPVBQESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 |
SMILES | CACTVS | 3.385 | O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O |