(3S)-3-(2-bromophenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoate

Systemtic Name: (3S)-3-(2-bromophenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoate Openeye Name: (3S)-3-(2-bromophenyl)-3-(1-oxoisoindolin-2-yl)propanoate CAS Name: (3S)-3-(2-bromophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate IUPAC Name: (3S)-3-(2-bromophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate Traditional Name: (3S)-3-(2-bromophenyl)-3-(1-ketoisoindolin-2-yl)propionate Formula: C17H13BrNO3- MolecularWeight: 359.19402

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1C(CC(=O)[O-])C3=CC=CC=C3Br

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1[C@@H](CC(=O)[O-])C3=CC=CC=C3Br

InChI

InChI=1S/C17H14BrNO3/c18-14-8-4-3-7-13(14)15(9-16(20)21)19-10-11-5-1-2-6-12(11)17(19)22/h1-8,15H,9-10H2,(H,20,21)/p-1/t15-/m0/s1