1-[(4-chlorophenyl)methyl]-3-isocyanato-indole

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-isocyanato-indole Openeye Name: 1-[(4-chlorophenyl)methyl]-3-isocyanato-indole CAS Name: 1-[(4-chlorophenyl)methyl]-3-isocyanatoindole IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-isocyanatoindole Traditional Name: 1-(4-chlorobenzyl)-3-isocyanato-indole Formula: C16H11ClN2O MolecularWeight: 282.72434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)N=C=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)N=C=O

InChI

InChI=1S/C16H11ClN2O/c17-13-7-5-12(6-8-13)9-19-10-15(18-11-20)14-3-1-2-4-16(14)19/h1-8,10H,9H2