4-isocyanatobutan-2-yl (E)-but-2-enoate

Systemtic Name: 4-isocyanatobutan-2-yl (E)-but-2-enoate Openeye Name: (3-isocyanato-1-methyl-propyl) (E)-but-2-enoate CAS Name: (E)-2-butenoic acid 4-isocyanatobutan-2-yl ester IUPAC Name: 4-isocyanatobutan-2-yl (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid (3-isocyanato-1-methyl-propyl) ester Formula: C9H13NO3 MolecularWeight: 183.20442

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OC(C)CCN=C=O

Isomeric SMILES

C/C=C/C(=O)OC(C)CCN=C=O

InChI

InChI=1S/C9H13NO3/c1-3-4-9(12)13-8(2)5-6-10-7-11/h3-4,8H,5-6H2,1-2H3/b4-3+