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

Systemtic Name: [2-[[2,3-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(2,3-dichloroanilino)-2-oxo-ethyl] 1,3-dioxo-2-sec-butyl-isoindoline-5-carboxylate CAS Name: 2-butan-2-yl-1,3-dioxo-5-isoindolecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dichloroanilino)-2-oxoethyl] 2-butan-2-yl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-sec-butyl-isoindoline-5-carboxylic acid [2-(2,3-dichloroanilino)-2-keto-ethyl] ester Formula: C21H18Cl2N2O5 MolecularWeight: 449.28402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O5/c1-3-11(2)25-19(27)13-8-7-12(9-14(13)20(25)28)21(29)30-10-17(26)24-16-6-4-5-15(22)18(16)23/h4-9,11H,3,10H2,1-2H3,(H,24,26)