(E)-but-2-enedioic acid; (2E,4E)-2-methyl-5-phenyl-penta-2,4-dienenitrile

Systemtic Name: (E)-but-2-enedioic acid; (2E,4E)-2-methyl-5-phenyl-penta-2,4-dienenitrile Openeye Name: fumaric acid; (2E,4E)-2-methyl-5-phenyl-penta-2,4-dienenitrile CAS Name: (E)-2-butenedioic acid; (2E,4E)-2-methyl-5-phenylpenta-2,4-dienenitrile IUPAC Name: (E)-but-2-enedioic acid; (2E,4E)-2-methyl-5-phenylpenta-2,4-dienenitrile Traditional Name: fumaric acid; (2E,4E)-2-methyl-5-phenyl-penta-2,4-dienenitrile Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CC1=CC=CC=C1)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C/C(=C\C=C\C1=CC=CC=C1)/C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H11N.C4H4O4/c1-11(10-13)6-5-9-12-7-3-2-4-8-12;5-3(6)1-2-4(7)8/h2-9H,1H3;1-2H,(H,5,6)(H,7,8)/b9-5+,11-6+;2-1+