(E)-but-2-enedioic acid; 3,4-dihydro-1H-isoquinolin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 3,4-dihydro-1H-isoquinolin-2-amine Openeye Name: 3,4-dihydro-1H-isoquinolin-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3,4-dihydro-1H-isoquinolin-2-amine IUPAC Name: (E)-but-2-enedioic acid; 3,4-dihydro-1H-isoquinolin-2-amine Traditional Name: 3,4-dihydro-1H-isoquinolin-2-ylamine; fumaric acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H12N2.C4H4O4/c10-11-6-5-8-3-1-2-4-9(8)7-11;5-3(6)1-2-4(7)8/h1-4H,5-7,10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+