[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[2-(4-bromoanilino)-2-oxo-ethoxy]benzoate CAS Name: 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate Traditional Name: 2-[2-(4-bromoanilino)-2-keto-ethoxy]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H18BrN3O5 MolecularWeight: 460.27802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O5/c21-14-6-8-15(9-7-14)24-19(26)13-28-17-5-2-1-4-16(17)20(27)29-12-18(25)23-11-3-10-22/h1-2,4-9H,3,11-13H2,(H,23,25)(H,24,26)