4-methylpentyl (E)-3-isocyanato-2-methyl-prop-2-enoate

Systemtic Name: 4-methylpentyl (E)-3-isocyanato-2-methyl-prop-2-enoate Openeye Name: isohexyl (E)-3-isocyanato-2-methyl-prop-2-enoate CAS Name: (E)-3-isocyanato-2-methyl-2-propenoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl (E)-3-isocyanato-2-methylprop-2-enoate Traditional Name: (E)-3-isocyanato-2-methyl-acrylic acid isohexyl ester Formula: C11H17NO3 MolecularWeight: 211.25758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C(=CN=C=O)C

Isomeric SMILES

CC(C)CCCOC(=O)/C(=C/N=C=O)/C

InChI

InChI=1S/C11H17NO3/c1-9(2)5-4-6-15-11(14)10(3)7-12-8-13/h7,9H,4-6H2,1-3H3/b10-7+