2-methylidenebutanedioic acid; 2-methylprop-2-enenitrile

Systemtic Name: 2-methylidenebutanedioic acid; 2-methylprop-2-enenitrile Openeye Name: 2-methylenebutanedioic acid; 2-methylprop-2-enenitrile CAS Name: 2-methylenebutanedioic acid; 2-methyl-2-propenenitrile IUPAC Name: 2-methylidenebutanedioic acid; 2-methylprop-2-enenitrile Traditional Name: itaconic acid; methacrylonitrile Formula: C9H11NO4 MolecularWeight: 197.18794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H6O4.C4H5N/c1-3(5(8)9)2-4(6)7;1-4(2)3-5/h1-2H2,(H,6,7)(H,8,9);1H2,2H3