diethyl (2S)-2-(6-azanyl-1-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)pentanedioate

Systemtic Name: diethyl (2S)-2-(6-azanyl-1-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)pentanedioate Openeye Name: diethyl (2S)-2-(5-amino-3-chloro-1-oxo-isoindolin-2-yl)pentanedioate CAS Name: (2S)-2-(6-amino-1-chloro-3-oxo-1H-isoindol-2-yl)pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-(6-amino-1-chloro-3-oxo-1H-isoindol-2-yl)pentanedioate Traditional Name: (2S)-2-(5-amino-3-chloro-1-keto-isoindolin-2-yl)glutaric acid diethyl ester Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)N1C(C2=C(C1=O)C=CC(=C2)N)Cl

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)N1C(C2=C(C1=O)C=CC(=C2)N)Cl

InChI

InChI=1S/C17H21ClN2O5/c1-3-24-14(21)8-7-13(17(23)25-4-2)20-15(18)12-9-10(19)5-6-11(12)16(20)22/h5-6,9,13,15H,3-4,7-8,19H2,1-2H3/t13-,15?/m0/s1