[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C25H19ClN2O5 MolecularWeight: 462.88176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H19ClN2O5/c26-18-7-4-8-19(14-18)27-22(29)15-33-25(32)17-9-10-20-21(13-17)24(31)28(23(20)30)12-11-16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2,(H,27,29)