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G-1

PropertiesImage
MNX_IDMNXM341032 Image of MNXM341032
referencechebi:156296
formulaC21H18BrNO3
global charge0
mol weight412.283
InChIKeyVHSVKVWHYFBIFJ-HKZYLEAXSA-N
InChIInChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1
SMILESCC(=O)C1=CC=C2N[C@@H](C3=C(Br)C=C4OCOC4=C3)[C@H]3CC=C[C@H]3C2=C1
MNX internals
InChI (mnx)InChI=1/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1 Image of MNXM341032
SMILES (mnx)[CH3:1][C:11]([C:12]1=[CH:5][CH:6]=[C:18]2[C:15](=[CH:7]1)[C@@H:13]1[CH:3]=[CH:2][CH2:4][C@@H:14]1[C@H:21]([C:16]1=[CH:8][C:19]3=[C:20]([CH:9]=[C:17]1[Br:22])[O:26][CH2:10][O:25]3)[NH:23]2)=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:156296
chebi:156296
VHSVKVWHYFBIFJ-HKZYLEAXSA-N 		G-1
1-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
G 1
G1

CHEBI:123624
chebi:123624
VHSVKVWHYFBIFJ-UHFFFAOYSA-N 		1-[4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone