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CHEBI:43358 - REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE

Default Structure
ChEBI IDCHEBI:43358
ChEBI NameREL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H18N2O4
Net Charge0
Average Mass350.374
Monoisotopic Mass350.12666
SMILES[H]c1c([H])c([H])c2c([N+](=O)[O-])c([H])c([H])c(N3C(=O)[C@@]4([H])[C@]5([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])C5([H])[H])[C@@]4([H])C3=O)c2c1[H]
InChIInChI=1S/C20H18N2O4/c23-19-17-11-5-6-12(8-7-11)18(17)20(24)21(19)15-9-10-16(22(25)26)14-4-2-1-3-13(14)15/h1-4,9-12,17-18H,5-8H2/t11-,12+,17-,18+
InChIKeyDEJXHCDDTLTVNB-FRVJLOGJSA-N
ChEBI Ontology
Outgoing Relation(s)
REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE (CHEBI:43358) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3aR,4R,7S,7aS)-2-(4-nitronaphthalen-1-yl)hexahydro-1H-4,7-ethanoisoindole-1,3(2H)-dionePDBeChem
REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONEPDBeChem
Manual XrefsDatabases
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