(E)-2-cyano-4-methyl-pent-2-enoic acid; 2-cyanoprop-2-enoate

Systemtic Name: (E)-2-cyano-4-methyl-pent-2-enoic acid; 2-cyanoprop-2-enoate Openeye Name: (E)-2-cyano-4-methyl-pent-2-enoic acid; 2-cyanoprop-2-enoate CAS Name: (E)-2-cyano-4-methyl-2-pentenoic acid; 2-cyano-2-propenoate IUPAC Name: (E)-2-cyano-4-methylpent-2-enoic acid; 2-cyanoprop-2-enoate Traditional Name: 2-cyanoacrylate; (E)-2-cyano-4-methyl-pent-2-enoic acid Formula: C11H11N2O4- MolecularWeight: 235.21604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=C(C#N)C(=O)O.C=C(C#N)C(=O)[O-]

Isomeric SMILES

CC(C)/C=C(\C#N)/C(=O)O.C=C(C#N)C(=O)[O-]

InChI

InChI=1S/C7H9NO2.C4H3NO2/c1-5(2)3-6(4-8)7(9)10;1-3(2-5)4(6)7/h3,5H,1-2H3,(H,9,10);1H2,(H,6,7)/p-1/b6-3+;