Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(C(=O)N)ccc(cc1NC(Cc2ccccc2)=O)[N+]([O-])=O |
InChI | InChI | 1.03 | InChI=1S/C15H13N3O4/c16-15(20)12-7-6-11(18(21)22)9-13(12)17-14(19)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,20)(H,17,19) |
InChIKey | InChI | 1.03 | YCAFMCMKNHYQFE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(cc1NC(=O)Cc2ccccc2)[N+]([O-])=O |
SMILES | CACTVS | 3.385 | NC(=O)c1ccc(cc1NC(=O)Cc2ccccc2)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-] |