3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-chloranyl-4-oxidanylidene-butanoate

Systemtic Name: 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-chloranyl-4-oxidanylidene-butanoate Openeye Name: 4-chloro-3-[(1,3-dioxoisoindolin-2-yl)methyl]-4-oxo-butanoate CAS Name: 4-chloro-3-[(1,3-dioxo-2-isoindolyl)methyl]-4-oxobutanoate IUPAC Name: 4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-oxobutanoate Traditional Name: 4-chloro-4-keto-3-(phthalimidomethyl)butyrate Formula: C13H9ClNO5- MolecularWeight: 294.66726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CC(=O)[O-])C(=O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CC(=O)[O-])C(=O)Cl

InChI

InChI=1S/C13H10ClNO5/c14-11(18)7(5-10(16)17)6-15-12(19)8-3-1-2-4-9(8)13(15)20/h1-4,7H,5-6H2,(H,16,17)/p-1