[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O3/c1-12(14-6-8-16(19)9-7-14)21-17(22)11-24-18(23)15-4-2-13(10-20)3-5-15/h2-9,12H,11H2,1H3,(H,21,22)