2-methylidenebutanedioic acid; prop-2-enenitrile

Systemtic Name: 2-methylidenebutanedioic acid; prop-2-enenitrile Openeye Name: 2-methylenebutanedioic acid; prop-2-enenitrile CAS Name: 2-methylenebutanedioic acid; 2-propenenitrile IUPAC Name: 2-methylidenebutanedioic acid; prop-2-enenitrile Traditional Name: acrylonitrile; itaconic acid Formula: C8H9NO4 MolecularWeight: 183.16136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H6O4.C3H3N/c1-3(5(8)9)2-4(6)7;1-2-3-4/h1-2H2,(H,6,7)(H,8,9);2H,1H2