2-isocyanatopent-3-yn-2-ylbenzene

Systemtic Name: 2-isocyanatopent-3-yn-2-ylbenzene Openeye Name: (1-isocyanato-1-methyl-but-2-ynyl)benzene CAS Name: 2-isocyanatopent-3-yn-2-ylbenzene IUPAC Name: 2-isocyanatopent-3-yn-2-ylbenzene Traditional Name: (1-isocyanato-1-methyl-but-2-ynyl)benzene Formula: C12H11NO MolecularWeight: 185.22184

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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/C12H11NO/c1-3-9-12(2,13-10-14)11-7-5-4-6-8-11/h4-8H,1-2H3