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

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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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(=CC=C3)Cl)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O3/c1-14-7-8-15(2)25(14)18-11-9-17(10-12-18)22(27)28-13-21(26)24-20-6-4-5-19(23)16(20)3/h4-12H,13H2,1-3H3,(H,24,26)