(E)-but-2-enedioic acid; 3-(1H-indol-3-yl)propanamide

Systemtic Name: (E)-but-2-enedioic acid; 3-(1H-indol-3-yl)propanamide Openeye Name: fumaric acid; 3-(1H-indol-3-yl)propanamide CAS Name: (E)-2-butenedioic acid; 3-(1H-indol-3-yl)propanamide IUPAC Name: (E)-but-2-enedioic acid; 3-(1H-indol-3-yl)propanamide Traditional Name: fumaric acid; 3-(1H-indol-3-yl)propionamide Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H12N2O.C4H4O4/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10;5-3(6)1-2-4(7)8/h1-4,7,13H,5-6H2,(H2,12,14);1-2H,(H,5,6)(H,7,8)/b;2-1+