2-methylidenebutanedioic acid; (2E,4Z,5E)-4-(phenylmethylidene)octa-2,5,7-trienenitrile

Systemtic Name: 2-methylidenebutanedioic acid; (2E,4Z,5E)-4-(phenylmethylidene)octa-2,5,7-trienenitrile Openeye Name: (2E,4Z,5E)-4-benzylideneocta-2,5,7-trienenitrile; 2-methylenebutanedioic acid CAS Name: 2-methylenebutanedioic acid; (2E,4Z,5E)-4-(phenylmethylene)octa-2,5,7-trienenitrile IUPAC Name: (2E,4Z,5E)-4-benzylideneocta-2,5,7-trienenitrile; 2-methylidenebutanedioic acid Traditional Name: (2E,4Z,5E)-4-benzalocta-2,5,7-trienenitrile; itaconic acid Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N.C5H6O4/c1-2-3-8-14(11-7-12-16)13-15-9-5-4-6-10-15;1-3(5(8)9)2-4(6)7/h2-11,13H,1H2;1-2H2,(H,6,7)(H,8,9)/b8-3+,11-7+,14-13-;