[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H13BrN2O3 MolecularWeight: 373.20072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H13BrN2O3/c18-14-5-3-13(4-6-14)17(22)23-11-16(21)20-15-7-1-12(2-8-15)9-10-19/h1-8H,9,11H2,(H,20,21)