(E)-but-2-enedioic acid; (Z)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-prop-2-en-1-one

Systemtic Name: (E)-but-2-enedioic acid; (Z)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-prop-2-en-1-one Openeye Name: (Z)-1-(2,4-dimethoxyphenyl)-3-(4-pyridyl)prop-2-en-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; (Z)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-2-propen-1-one IUPAC Name: (E)-but-2-enedioic acid; (Z)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one Traditional Name: (Z)-1-(2,4-dimethoxyphenyl)-3-(4-pyridyl)prop-2-en-1-one; fumaric acid Formula: C36H34N2O10 MolecularWeight: 654.66256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC2=CC=NC=C2)OC.COC1=CC(=C(C=C1)C(=O)C=CC2=CC=NC=C2)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)/C=C\C2=CC=NC=C2)OC.COC1=CC(=C(C=C1)C(=O)/C=C\C2=CC=NC=C2)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C16H15NO3.C4H4O4/c2*1-19-13-4-5-14(16(11-13)20-2)15(18)6-3-12-7-9-17-10-8-12;5-3(6)1-2-4(7)8/h2*3-11H,1-2H3;1-2H,(H,5,6)(H,7,8)/b2*6-3-;2-1+