[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C16H10BrClN2O3 MolecularWeight: 393.6192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C16H10BrClN2O3/c17-11-3-6-14(18)13(7-11)16(22)23-9-15(21)20-12-4-1-10(8-19)2-5-12/h1-7H,9H2,(H,20,21)