[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C16H10BrClN2O3 MolecularWeight: 393.6192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)Br

InChI

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