2,3,9,9a-tetrahydro-1H-3-benzazepine; (E)-but-2-enedioic acid

Systemtic Name: 2,3,9,9a-tetrahydro-1H-3-benzazepine; (E)-but-2-enedioic acid Openeye Name: 2,3,9,9a-tetrahydro-1H-3-benzazepine; fumaric acid CAS Name: 2,3,9,9a-tetrahydro-1H-3-benzazepine; (E)-2-butenedioic acid IUPAC Name: 2,3,9,9a-tetrahydro-1H-3-benzazepine; (E)-but-2-enedioic acid Traditional Name: 2,3,9,9a-tetrahydro-1H-3-benzazepine; fumaric acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC=CC2=CC=CCC21.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNC=CC2=CC=CCC21.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H13N.C4H4O4/c1-2-4-10-6-8-11-7-5-9(10)3-1;5-3(6)1-2-4(7)8/h1-3,5,7,10-11H,4,6,8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+