butyl (E)-4-cyano-2-methylidene-but-3-enoate; 2-methylidenebutanedioic acid

Systemtic Name: butyl (E)-4-cyano-2-methylidene-but-3-enoate; 2-methylidenebutanedioic acid Openeye Name: butyl (E)-4-cyano-2-methylene-but-3-enoate; 2-methylenebutanedioic acid CAS Name: (E)-4-cyano-2-methylene-3-butenoic acid butyl ester; 2-methylenebutanedioic acid IUPAC Name: butyl (E)-4-cyano-2-methylidenebut-3-enoate; 2-methylidenebutanedioic acid Traditional Name: (E)-4-cyano-2-methylene-but-3-enoic acid butyl ester; itaconic acid Formula: C15H19NO6 MolecularWeight: 309.31446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO2.C5H6O4/c1-3-4-8-13-10(12)9(2)6-5-7-11;1-3(5(8)9)2-4(6)7/h5-6H,2-4,8H2,1H3;1-2H2,(H,6,7)(H,8,9)/b6-5+;