(E)-but-2-enedioic acid; 2-(3-methylpyridin-2-yl)aniline

Systemtic Name: (E)-but-2-enedioic acid; 2-(3-methylpyridin-2-yl)aniline Openeye Name: fumaric acid; 2-(3-methyl-2-pyridyl)aniline CAS Name: (E)-2-butenedioic acid; 2-(3-methyl-2-pyridinyl)aniline IUPAC Name: (E)-but-2-enedioic acid; 2-(3-methylpyridin-2-yl)aniline Traditional Name: fumaric acid; [2-(3-methyl-2-pyridyl)phenyl]amine Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2=CC=CC=C2N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C2=CC=CC=C2N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H12N2.C4H4O4/c1-9-5-4-8-14-12(9)10-6-2-3-7-11(10)13;5-3(6)1-2-4(7)8/h2-8H,13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+