(E)-but-2-enedioic acid; 3,4-dihydro-2H-chromen-2-ylmethanamine

Systemtic Name: (E)-but-2-enedioic acid; 3,4-dihydro-2H-chromen-2-ylmethanamine Openeye Name: chroman-2-ylmethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3,4-dihydro-2H-1-benzopyran-2-ylmethanamine IUPAC Name: (E)-but-2-enedioic acid; 3,4-dihydro-2H-chromen-2-ylmethanamine Traditional Name: chroman-2-ylmethylamine; fumaric acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2OC1CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2OC1CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H13NO.C4H4O4/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;5-3(6)1-2-4(7)8/h1-4,9H,5-7,11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+