ZINC06053731
Molecular Formula:
C
14
H
19
BrN
3
O
4
+
InChI:
InChI=1/C14H18BrN3O4/c1-9-6-17(7-10(2)22-9)8-14(19)16-13-4-3-11(18(20)21)5-12(13)15/h3-5,9-10H,6-8H2,1-2H3,(H,16,19)/p+1/t9-,10-/m0/s1/fC14H19BrN3O4/h16-17H/q+1
InChIKey:
InChIKey=JKICJQKNLPETJK-PCWGQVNNDX
SMILES:
CC1C[NH+](CC(O1)C)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Names:
N-(2-bromo-4-nitro-phenyl)-2-[(2S,6S)-2,6-dimethyl-1-oxa-4-azoniacyclohex-4-yl]acetamide
ZINC06053731
Registries:
PubChem CID 7860726
PubChem ID 13167639