2-[4-acetamido-3,5-bis(chloranyl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[4-acetamido-3,5-bis(chloranyl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(4-acetamido-3,5-dichloro-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamido-3,5-dichlorophenyl)-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(4-acetamido-3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamido-3,5-dichloro-phenyl)-1,3-diketo-isoindoline-5-carboxylate Formula: C17H9Cl2N2O5- MolecularWeight: 392.16976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1Cl)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1Cl)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-])Cl

InChI

InChI=1S/C17H10Cl2N2O5/c1-7(22)20-14-12(18)5-9(6-13(14)19)21-15(23)10-3-2-8(17(25)26)4-11(10)16(21)24/h2-6H,1H3,(H,20,22)(H,25,26)/p-1