1-isocyanatobutane; 3-isocyanatopropylbenzene

Systemtic Name: 1-isocyanatobutane; 3-isocyanatopropylbenzene Openeye Name: 1-isocyanatobutane; 3-isocyanatopropylbenzene CAS Name: 1-isocyanatobutane; 3-isocyanatopropylbenzene IUPAC Name: 1-isocyanatobutane; 3-isocyanatopropylbenzene Traditional Name: 1-isocyanatobutane; 3-isocyanatopropylbenzene Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C=O.C1=CC=C(C=C1)CCCN=C=O

Isomeric SMILES

CCCCN=C=O.C1=CC=C(C=C1)CCCN=C=O

InChI

InChI=1S/C10H11NO.C5H9NO/c12-9-11-8-4-7-10-5-2-1-3-6-10;1-2-3-4-6-5-7/h1-3,5-6H,4,7-8H2;2-4H2,1H3