2-[2-azanyl-5-chloranyl-3-(4-methylphenyl)carbonyl-phenyl]ethanenitrile

Systemtic Name: 2-[2-azanyl-5-chloranyl-3-(4-methylphenyl)carbonyl-phenyl]ethanenitrile Openeye Name: 2-[2-amino-5-chloro-3-(4-methylbenzoyl)phenyl]acetonitrile CAS Name: 2-[2-amino-5-chloro-3-[(4-methylphenyl)-oxomethyl]phenyl]acetonitrile IUPAC Name: 2-[2-amino-5-chloro-3-(4-methylbenzoyl)phenyl]acetonitrile Traditional Name: 2-(2-amino-5-chloro-3-p-toluoyl-phenyl)acetonitrile Formula: C16H13ClN2O MolecularWeight: 284.74022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2N)CC#N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2N)CC#N)Cl

InChI

InChI=1S/C16H13ClN2O/c1-10-2-4-11(5-3-10)16(20)14-9-13(17)8-12(6-7-18)15(14)19/h2-5,8-9H,6,19H2,1H3