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

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-bis(oxidanylidene)-2-propan-2-yl-isoindole-5-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-isopropyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-propan-2-yl-5-isoindolecarboxylic acid [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] 1,3-dioxo-2-propan-2-ylisoindole-5-carboxylate Traditional Name: 2-isopropyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C(C)C)Cl

InChI

InChI=1S/C22H21ClN2O5/c1-11(2)25-20(27)16-8-6-14(9-17(16)21(25)28)22(29)30-13(4)19(26)24-15-7-5-12(3)18(23)10-15/h5-11,13H,1-4H3,(H,24,26)