1-ethenyl-4-isocyanato-benzene; 3-isocyanatobut-1-ene

Systemtic Name: 1-ethenyl-4-isocyanato-benzene; 3-isocyanatobut-1-ene Openeye Name: 3-isocyanatobut-1-ene; 1-isocyanato-4-vinyl-benzene CAS Name: 1-ethenyl-4-isocyanatobenzene; 3-isocyanato-1-butene IUPAC Name: 1-ethenyl-4-isocyanatobenzene; 3-isocyanatobut-1-ene Traditional Name: 3-isocyanatobut-1-ene; 1-isocyanato-4-vinyl-benzene Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)N=C=O.C=CC1=CC=C(C=C1)N=C=O

Isomeric SMILES

CC(C=C)N=C=O.C=CC1=CC=C(C=C1)N=C=O

InChI

InChI=1S/C9H7NO.C5H7NO/c1-2-8-3-5-9(6-4-8)10-7-11;1-3-5(2)6-4-7/h2-6H,1H2;3,5H,1H2,2H3