Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(=O)CCC1N1C(=O)c2ccc(N)cc2C1=O |
InChI | InChI | 1.03 | InChI=1S/C13H11N3O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4,14H2,(H,15,17,18)/t9-/m1/s1 |
InChIKey | InChI | 1.03 | IICWMVJMJVXCLY-SECBINFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2C(=O)N([C@@H]3CCC(=O)NC3=O)C(=O)c2c1 |
SMILES | CACTVS | 3.385 | Nc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1N)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1N)C(=O)N(C2=O)C3CCC(=O)NC3=O |