(2S)-4-(4-bromophenyl)-2-(1H-indol-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(4-bromophenyl)-2-(1H-indol-3-yl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-bromophenyl)-2-(1H-indol-3-yl)-4-oxo-butanoate CAS Name: (2S)-4-(4-bromophenyl)-2-(1H-indol-3-yl)-4-oxobutanoate IUPAC Name: (2S)-4-(4-bromophenyl)-2-(1H-indol-3-yl)-4-oxobutanoate Traditional Name: (2S)-4-(4-bromophenyl)-2-(1H-indol-3-yl)-4-keto-butyrate Formula: C18H13BrNO3- MolecularWeight: 371.20472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(CC(=O)C3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)[C@H](CC(=O)C3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C18H14BrNO3/c19-12-7-5-11(6-8-12)17(21)9-14(18(22)23)15-10-20-16-4-2-1-3-13(15)16/h1-8,10,14,20H,9H2,(H,22,23)/p-1/t14-/m0/s1