(3aR,8bS)-5-bromanyl-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; (E)-but-2-enedioic acid

Systemtic Name: (3aR,8bS)-5-bromanyl-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; (E)-but-2-enedioic acid Openeye Name: (3aR,8bS)-5-bromo-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; fumaric acid CAS Name: (3aR,8bS)-5-bromo-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; (E)-2-butenedioic acid IUPAC Name: (3aR,8bS)-5-bromo-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; (E)-but-2-enedioic acid Traditional Name: (3aR,8bS)-5-bromo-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrol[2,3-b]indol-7-ol; fumaric acid Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCN(C1N(C3=C(C=C(C=C23)O)Br)C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C[C@@]12CCN([C@@H]1N(C3=C(C=C(C=C23)O)Br)C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H17BrN2O.C4H4O4/c1-13-4-5-15(2)12(13)16(3)11-9(13)6-8(17)7-10(11)14;5-3(6)1-2-4(7)8/h6-7,12,17H,4-5H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-,13+;/m1./s1