[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoline-4-carboxylate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoline-4-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2,3-dimethylquinoline-4-carboxylate CAS Name: 2,3-dimethyl-4-quinolinecarboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2,3-dimethylquinoline-4-carboxylate Traditional Name: 2,3-dimethylcinchoninic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C)C)Br

InChI

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