(E)-but-2-enedioic acid; 7-methoxy-2-methyl-3,3a,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one

Systemtic Name: (E)-but-2-enedioic acid; 7-methoxy-2-methyl-3,3a,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one Openeye Name: fumaric acid; 7-methoxy-2-methyl-3,3a,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one CAS Name: (E)-2-butenedioic acid; 7-methoxy-2-methyl-3,3a,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one IUPAC Name: (E)-but-2-enedioic acid; 7-methoxy-2-methyl-3,3a,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one Traditional Name: fumaric acid; 7-methoxy-2-methyl-3,3a,4,9b-tetrahydro-1H-benz[e]isoindol-5-one Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CC(=O)C3=C(C2C1)C=CC(=C3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CC2CC(=O)C3=C(C2C1)C=CC(=C3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H17NO2.C4H4O4/c1-15-7-9-5-14(16)12-6-10(17-2)3-4-11(12)13(9)8-15;5-3(6)1-2-4(7)8/h3-4,6,9,13H,5,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+