[1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 1,3-dioxo-2-sec-butyl-isoindoline-5-carboxylate CAS Name: 2-butan-2-yl-1,3-dioxo-5-isoindolecarboxylic acid [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] 2-butan-2-yl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-sec-butyl-isoindoline-5-carboxylic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C23H23ClN2O5/c1-5-13(3)26-21(28)17-9-7-15(10-18(17)22(26)29)23(30)31-14(4)20(27)25-16-8-6-12(2)19(24)11-16/h6-11,13-14H,5H2,1-4H3,(H,25,27)