(E)-but-2-enedioic acid; 4-(4-nitrophenoxy)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-nitrophenoxy)-1,2,3,4-tetrahydroisoquinoline Openeye Name: fumaric acid; 4-(4-nitrophenoxy)-1,2,3,4-tetrahydroisoquinoline CAS Name: (E)-2-butenedioic acid; 4-(4-nitrophenoxy)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: (E)-but-2-enedioic acid; 4-(4-nitrophenoxy)-1,2,3,4-tetrahydroisoquinoline Traditional Name: fumaric acid; 4-(4-nitrophenoxy)-1,2,3,4-tetrahydroisoquinoline Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CN1)OC3=CC=C(C=C3)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(C2=CC=CC=C2CN1)OC3=CC=C(C=C3)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H14N2O3.C4H4O4/c18-17(19)12-5-7-13(8-6-12)20-15-10-16-9-11-3-1-2-4-14(11)15;5-3(6)1-2-4(7)8/h1-8,15-16H,9-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+