[2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(4-bromo-2,5-dimethyl-anilino)-2-oxo-ethyl] 3-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] 3-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(4-bromo-2,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C(=C3)C)Br)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C(=C3)C)Br)C)C

InChI

InChI=1S/C23H23BrN2O3/c1-14-11-21(15(2)10-20(14)24)25-22(27)13-29-23(28)18-6-5-7-19(12-18)26-16(3)8-9-17(26)4/h5-12H,13H2,1-4H3,(H,25,27)