(E)-but-2-enedioic acid; 2-(4H-indeno[1,2-b]pyrrol-1-yl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(4H-indeno[1,2-b]pyrrol-1-yl)ethanamine Openeye Name: fumaric acid; 2-(4H-indeno[1,2-b]pyrrol-1-yl)ethanamine CAS Name: (E)-2-butenedioic acid; 2-(4H-indeno[1,2-b]pyrrol-1-yl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(4H-indeno[1,2-b]pyrrol-1-yl)ethanamine Traditional Name: fumaric acid; 2-(4H-indeno[1,2-b]pyrrol-1-yl)ethylamine Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=CC=CC=C31)N(C=C2)CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C2=C(C3=CC=CC=C31)N(C=C2)CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H14N2.C4H4O4/c14-6-8-15-7-5-11-9-10-3-1-2-4-12(10)13(11)15;5-3(6)1-2-4(7)8/h1-5,7H,6,8-9,14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+