2-isocyanatopent-4-en-2-ylbenzene

Systemtic Name: 2-isocyanatopent-4-en-2-ylbenzene Openeye Name: (1-isocyanato-1-methyl-but-3-enyl)benzene CAS Name: 2-isocyanatopent-4-en-2-ylbenzene IUPAC Name: 2-isocyanatopent-4-en-2-ylbenzene Traditional Name: (1-isocyanato-1-methyl-but-3-enyl)benzene Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-3-9-12(2,13-10-14)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3