[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H19BrN2O3 MolecularWeight: 427.29116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)C)Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)C)Br)C

InChI

InChI=1S/C21H19BrN2O3/c1-12-4-6-18-15(8-12)16(10-14(3)23-18)21(26)27-11-20(25)24-19-7-5-13(2)9-17(19)22/h4-10H,11H2,1-3H3,(H,24,25)