methyl 3-azanyl-2-[2-(4-chlorophenyl)ethynyl]benzoate

Systemtic Name: methyl 3-azanyl-2-[2-(4-chlorophenyl)ethynyl]benzoate Openeye Name: methyl 3-amino-2-[2-(4-chlorophenyl)ethynyl]benzoate CAS Name: 3-amino-2-[2-(4-chlorophenyl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-[2-(4-chlorophenyl)ethynyl]benzoate Traditional Name: 3-amino-2-[2-(4-chlorophenyl)ethynyl]benzoic acid methyl ester Formula: C16H12ClNO2 MolecularWeight: 285.72498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)N)C#CC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)N)C#CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H12ClNO2/c1-20-16(19)14-3-2-4-15(18)13(14)10-7-11-5-8-12(17)9-6-11/h2-6,8-9H,18H2,1H3