(E)-4-cyanato-2-methyl-pent-2-enoate; (E)-4-isocyanato-2-methyl-pent-2-enoate

Systemtic Name: (E)-4-cyanato-2-methyl-pent-2-enoate; (E)-4-isocyanato-2-methyl-pent-2-enoate Openeye Name: (E)-4-cyanato-2-methyl-pent-2-enoate; (E)-4-isocyanato-2-methyl-pent-2-enoate CAS Name: (E)-4-cyanato-2-methyl-2-pentenoate; (E)-4-isocyanato-2-methyl-2-pentenoate IUPAC Name: (E)-4-cyanato-2-methylpent-2-enoate; (E)-4-isocyanato-2-methylpent-2-enoate Traditional Name: (E)-4-cyanato-2-methyl-pent-2-enoate; (E)-4-isocyanato-2-methyl-pent-2-enoate Formula: C14H16N2O6-2 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H9NO3/c1-5(7(9)10)3-6(2)11-4-8;1-5(7(10)11)3-6(2)8-4-9/h3,6H,1-2H3,(H,9,10);3,6H,1-2H3,(H,10,11)/p-2/b2*5-3+