PDB CCD ID: | JV1 |
Number of entries in BioLiP: | 0 |
Chemical formula: | C16 H11 N O5 |
InChI: | InChI=1S/C16H11NO5/c18-14(12-2-1-3-13(9-12)17(19)20)6-4-11-5-7-15-16(8-11)22-10-21-15/h1-9H,10H2/b6-4+ |
InChIKey: | MALGARLLWBWYQV-GQCTYLIASA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)[N+](=O)[O-])C(=O)/C=C/c2ccc3c(c2)OCO3 | CACTVS 3.385 | [O-][N+](=O)c1cccc(c1)C(=O)\C=C\c2ccc3OCOc3c2 | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)[N+](=O)[O-])C(=O)C=Cc2ccc3c(c2)OCO3 | CACTVS 3.385 | [O-][N+](=O)c1cccc(c1)C(=O)C=Cc2ccc3OCOc3c2 |
|
Name: | (~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one |
ChEMBL: | CHEMBL455469 |
ZINC: | ZINC000004276689 |