[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 6,8-bis(bromanyl)-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 6,8-bis(bromanyl)-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 6,8-dibromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6,8-dibromo-2-phenyl-4-quinolinecarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 6,8-dibromo-2-phenylquinoline-4-carboxylate Traditional Name: 6,8-dibromo-2-phenyl-cinchoninic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H17Br2N3O4 MolecularWeight: 547.19608

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=NC2=C(C=C(C=C12)Br)Br)C3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=NC2=C(C=C(C=C12)Br)Br)C3=CC=CC=C3

InChI

InChI=1S/C22H17Br2N3O4/c1-2-8-25-22(30)27-19(28)12-31-21(29)16-11-18(13-6-4-3-5-7-13)26-20-15(16)9-14(23)10-17(20)24/h2-7,9-11H,1,8,12H2,(H2,25,27,28,30)