(E)-but-2-enedioic acid; 3-(4-chlorophenyl)-1-pyridin-2-yl-propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-chlorophenyl)-1-pyridin-2-yl-propan-1-one Openeye Name: 3-(4-chlorophenyl)-1-(2-pyridyl)propan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(4-chlorophenyl)-1-(2-pyridinyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 3-(4-chlorophenyl)-1-pyridin-2-ylpropan-1-one Traditional Name: 3-(4-chlorophenyl)-1-(2-pyridyl)propan-1-one; fumaric acid Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=O)CCC2=CC=C(C=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C(=O)CCC2=CC=C(C=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H12ClNO.C4H4O4/c15-12-7-4-11(5-8-12)6-9-14(17)13-3-1-2-10-16-13;5-3(6)1-2-4(7)8/h1-5,7-8,10H,6,9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+