4-[(3-chlorophenyl)-isocyanato-methyl]quinoline

Systemtic Name: 4-[(3-chlorophenyl)-isocyanato-methyl]quinoline Openeye Name: 4-[(3-chlorophenyl)-isocyanato-methyl]quinoline CAS Name: 4-[(3-chlorophenyl)-isocyanatomethyl]quinoline IUPAC Name: 4-[(3-chlorophenyl)-isocyanatomethyl]quinoline Traditional Name: 4-[(3-chlorophenyl)-isocyanato-methyl]quinoline Formula: C17H11ClN2O MolecularWeight: 294.73504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(C3=CC(=CC=C3)Cl)N=C=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(C3=CC(=CC=C3)Cl)N=C=O

InChI

InChI=1S/C17H11ClN2O/c18-13-5-3-4-12(10-13)17(20-11-21)15-8-9-19-16-7-2-1-6-14(15)16/h1-10,17H