(E)-but-2-enedioic acid; 6-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

Systemtic Name: (E)-but-2-enedioic acid; 6-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: fumaric acid; 6-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine CAS Name: (E)-2-butenedioic acid; 6-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: (E)-but-2-enedioic acid; 6-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: fumaric acid; 6-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CCNCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1CCNCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H15NO.C4H4O4/c1-13-11-4-2-3-9-5-7-12-8-6-10(9)11;5-3(6)1-2-4(7)8/h2-4,12H,5-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+