[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C16H11BrN2O3 MolecularWeight: 359.17414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O3/c17-13-6-4-12(5-7-13)16(21)22-10-15(20)19-14-3-1-2-11(8-14)9-18/h1-8H,10H2,(H,19,20)