PDB CCD ID: | X07 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C13 H12 N4 O3 |
InChI: | InChI=1S/C13H12N4O3/c14-13(18)11-6-10(17(19)20)3-4-12(11)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2,(H2,14,18) |
InChIKey: | YGOUPMYBESSSAI-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | [O-][N+](=O)c2ccc(NCc1cccnc1)c(C(=O)N)c2 | OpenEye OEToolkits 1.7.0 | c1cc(cnc1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-] | CACTVS 3.370 | NC(=O)c1cc(ccc1NCc2cccnc2)[N+]([O-])=O |
|
Name: | 5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide |
ChEMBL: | CHEMBL1530562 |
ZINC: | ZINC000004755142 |