[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C21H17BrN2O5 MolecularWeight: 457.27408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrN2O5/c1-2-28-21(27)24-19(25)12-29-20(26)16-11-18(13-7-9-14(22)10-8-13)23-17-6-4-3-5-15(16)17/h3-11H,2,12H2,1H3,(H,24,25,27)