[1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylbenzoate

Systemtic Name: [1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylbenzoate Openeye Name: [2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(2,5-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21Cl2NO3 MolecularWeight: 394.29164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H21Cl2NO3/c1-12(18(24)23-17-11-15(21)9-10-16(17)22)26-19(25)13-5-7-14(8-6-13)20(2,3)4/h5-12H,1-4H3,(H,23,24)