(E)-5-isocyanato-2,4-dimethyl-pent-2-enoate

Systemtic Name: (E)-5-isocyanato-2,4-dimethyl-pent-2-enoate Openeye Name: (E)-5-isocyanato-2,4-dimethyl-pent-2-enoate CAS Name: (E)-5-isocyanato-2,4-dimethyl-2-pentenoate IUPAC Name: (E)-5-isocyanato-2,4-dimethylpent-2-enoate Traditional Name: (E)-5-isocyanato-2,4-dimethyl-pent-2-enoate Formula: C8H10NO3- MolecularWeight: 168.1699

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN=C=O)C=C(C)C(=O)[O-]

Isomeric SMILES

CC(CN=C=O)/C=C(\C)/C(=O)[O-]

InChI

InChI=1S/C8H11NO3/c1-6(4-9-5-10)3-7(2)8(11)12/h3,6H,4H2,1-2H3,(H,11,12)/p-1/b7-3+