2-methylidenebutanedioic acid; (2E,4E)-3-[(E)-2-phenylethenyl]hepta-2,4,6-trienenitrile

Systemtic Name: 2-methylidenebutanedioic acid; (2E,4E)-3-[(E)-2-phenylethenyl]hepta-2,4,6-trienenitrile Openeye Name: 2-methylenebutanedioic acid; (2E,4E)-3-[(E)-styryl]hepta-2,4,6-trienenitrile CAS Name: 2-methylenebutanedioic acid; (2E,4E)-3-[(E)-2-phenylethenyl]hepta-2,4,6-trienenitrile IUPAC Name: 2-methylidenebutanedioic acid; (2E,4E)-3-[(E)-2-phenylethenyl]hepta-2,4,6-trienenitrile Traditional Name: itaconic acid; (2E,4E)-3-[(E)-styryl]hepta-2,4,6-trienenitrile Formula: C20H19NO4 MolecularWeight: 337.36916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N.C5H6O4/c1-2-3-7-15(12-13-16)11-10-14-8-5-4-6-9-14;1-3(5(8)9)2-4(6)7/h2-12H,1H2;1-2H2,(H,6,7)(H,8,9)/b7-3+,11-10+,15-12+;