butyl 4-isocyanatobenzoate

Systemtic Name: butyl 4-isocyanatobenzoate Openeye Name: butyl 4-isocyanatobenzoate CAS Name: 4-isocyanatobenzoic acid butyl ester IUPAC Name: butyl 4-isocyanatobenzoate Traditional Name: 4-isocyanatobenzoic acid butyl ester Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N=C=O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N=C=O

InChI

InChI=1S/C12H13NO3/c1-2-3-8-16-12(15)10-4-6-11(7-5-10)13-9-14/h4-7H,2-3,8H2,1H3