(E)-but-2-enedioic acid; 2-(2,3-dihydroindol-1-yl)-5-methoxy-aniline

Systemtic Name: (E)-but-2-enedioic acid; 2-(2,3-dihydroindol-1-yl)-5-methoxy-aniline Openeye Name: fumaric acid; 2-indolin-1-yl-5-methoxy-aniline CAS Name: (E)-2-butenedioic acid; 2-(2,3-dihydroindol-1-yl)-5-methoxyaniline IUPAC Name: (E)-but-2-enedioic acid; 2-(2,3-dihydroindol-1-yl)-5-methoxyaniline Traditional Name: fumaric acid; (2-indolin-1-yl-5-methoxy-phenyl)amine Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCC3=CC=CC=C32)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCC3=CC=CC=C32)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H16N2O.C4H4O4/c1-18-12-6-7-15(13(16)10-12)17-9-8-11-4-2-3-5-14(11)17;5-3(6)1-2-4(7)8/h2-7,10H,8-9,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+