[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C22H16BrN3O4 MolecularWeight: 466.28414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H16BrN3O4/c1-13-9-20(26-30-13)25-21(27)12-29-22(28)17-11-19(14-5-3-2-4-6-14)24-18-8-7-15(23)10-16(17)18/h2-11H,12H2,1H3,(H,25,26,27)