ZINC07269879
Molecular Formula:
C
13
H
13
ClN
2
O
5
S
InChI:
InChI=1/C13H13ClN2O5S/c1-21-13(18)11-7-15(4-5-22-11)12(17)9-3-2-8(14)6-10(9)16(19)20/h2-3,6,11H,4-5,7H2,1H3/t11-/m0/s1
InChIKey:
InChIKey=REKCUBCTIRGOGM-NSHDSACABT
SMILES:
COC(=O)C1CN(CCS1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]
Names:
methyl (2S)-4-(4-chloro-2-nitro-benzoyl)thiomorpholine-2-carboxylate
ZINC07269879
Registries:
PubChem CID 8369975
PubChem ID 13683600