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

Systemtic Name: 2-(3-acetamido-4-chloranyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(3-acetamido-4-chloro-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-acetamido-4-chlorophenyl)-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(3-acetamido-4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-acetamido-4-chloro-phenyl)-1,3-diketo-isoindoline-5-carboxylate Formula: C17H10ClN2O5- MolecularWeight: 357.7247

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-])Cl

InChI

InChI=1S/C17H11ClN2O5/c1-8(21)19-14-7-10(3-5-13(14)18)20-15(22)11-4-2-9(17(24)25)6-12(11)16(20)23/h2-7H,1H3,(H,19,21)(H,24,25)/p-1