2-methylidenebutanedioic acid; (2E,4E)-5-phenylpenta-2,4-dienenitrile

Systemtic Name: 2-methylidenebutanedioic acid; (2E,4E)-5-phenylpenta-2,4-dienenitrile Openeye Name: 2-methylenebutanedioic acid; (2E,4E)-5-phenylpenta-2,4-dienenitrile CAS Name: 2-methylenebutanedioic acid; (2E,4E)-5-phenylpenta-2,4-dienenitrile IUPAC Name: 2-methylidenebutanedioic acid; (2E,4E)-5-phenylpenta-2,4-dienenitrile Traditional Name: itaconic acid; (2E,4E)-5-phenylpenta-2,4-dienenitrile Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N.C5H6O4/c12-10-6-2-5-9-11-7-3-1-4-8-11;1-3(5(8)9)2-4(6)7/h1-9H;1-2H2,(H,6,7)(H,8,9)/b6-2+,9-5+;