ZINC05969588
Molecular Formula:
C
18
H
14
N
2
O
6
S
InChI:
InChI=1/C18H14N2O6S/c1-11-6-7-12(8-14(11)20(23)24)15(21)9-25-17(22)10-27-18-19-13-4-2-3-5-16(13)26-18/h2-8H,9-10H2,1H3
InChIKey:
InChIKey=OQEQVZJNGLTPAQ-UHFFFAOYAY
SMILES:
CC1=C(C=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)[N+](=O)[O-]
Names:
ZINC05969588
[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-benzooxazol-2-ylsulfanylacetate
Registries:
PubChem CID 7836045
PubChem ID 13140091