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

Systemtic Name: (E)-but-2-enedioic acid; 1,2,3,4-tetrahydroquinoline Openeye Name: fumaric acid; 1,2,3,4-tetrahydroquinoline CAS Name: (E)-2-butenedioic acid; 1,2,3,4-tetrahydroquinoline IUPAC Name: (E)-but-2-enedioic acid; 1,2,3,4-tetrahydroquinoline Traditional Name: fumaric acid; 1,2,3,4-tetrahydroquinoline Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2NC1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H11N.C4H4O4/c1-2-6-9-8(4-1)5-3-7-10-9;5-3(6)1-2-4(7)8/h1-2,4,6,10H,3,5,7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+