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

Systemtic Name: [2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-(4-bromo-2-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(4-bromo-2-chloro-anilino)-2-keto-ethyl] ester Formula: C21H18BrClN2O3 MolecularWeight: 461.73622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrClN2O3/c1-13-3-4-14(2)25(13)17-8-5-15(6-9-17)21(27)28-12-20(26)24-19-10-7-16(22)11-18(19)23/h3-11H,12H2,1-2H3,(H,24,26)