(E)-but-2-enedioic acid; 2,3,4,5-tetrahydro-1H-3-benzazepine

Systemtic Name: (E)-but-2-enedioic acid; 2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: fumaric acid; 2,3,4,5-tetrahydro-1H-3-benzazepine CAS Name: (E)-2-butenedioic acid; 2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: (E)-but-2-enedioic acid; 2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: fumaric acid; 2,3,4,5-tetrahydro-1H-3-benzazepine Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=CC=CC=C21.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC2=CC=CC=C21.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/h1-4,11H,5-8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+