chloranylethene; 2-methylidenebutanedioic acid; prop-2-enenitrile

Systemtic Name: chloranylethene; 2-methylidenebutanedioic acid; prop-2-enenitrile Openeye Name: chloroethylene; 2-methylenebutanedioic acid; prop-2-enenitrile CAS Name: chloroethene; 2-methylenebutanedioic acid; 2-propenenitrile IUPAC Name: chloroethene; 2-methylidenebutanedioic acid; prop-2-enenitrile Traditional Name: acrylonitrile; chloroethylene; itaconic acid Formula: C10H12ClNO4 MolecularWeight: 245.65958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H6O4.C3H3N.C2H3Cl/c1-3(5(8)9)2-4(6)7;1-2-3-4;1-2-3/h1-2H2,(H,6,7)(H,8,9);2H,1H2;2H,1H2