2-isocyanato-1-methyl-4-propan-2-yl-benzene

Systemtic Name: 2-isocyanato-1-methyl-4-propan-2-yl-benzene Openeye Name: 2-isocyanato-4-isopropyl-1-methyl-benzene CAS Name: 2-isocyanato-1-methyl-4-propan-2-ylbenzene IUPAC Name: 2-isocyanato-1-methyl-4-propan-2-ylbenzene Traditional Name: 2-isocyanato-4-isopropyl-1-methyl-benzene Formula: C11H13NO MolecularWeight: 175.22702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO/c1-8(2)10-5-4-9(3)11(6-10)12-7-13/h4-6,8H,1-3H3