1-isocyanatobutyl (E)-but-2-enoate

Systemtic Name: 1-isocyanatobutyl (E)-but-2-enoate Openeye Name: 1-isocyanatobutyl (E)-but-2-enoate CAS Name: (E)-2-butenoic acid 1-isocyanatobutyl ester IUPAC Name: 1-isocyanatobutyl (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid 1-isocyanatobutyl ester Formula: C9H13NO3 MolecularWeight: 183.20442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N=C=O)OC(=O)C=CC

Isomeric SMILES

CCCC(N=C=O)OC(=O)/C=C/C

InChI

InChI=1S/C9H13NO3/c1-3-5-8(10-7-11)13-9(12)6-4-2/h4,6,8H,3,5H2,1-2H3/b6-4+