2-[[(5S)-2-bromanyl-3-oxidanylidene-5-phenyl-cyclohexen-1-yl]amino]benzoate

Systemtic Name: 2-[[(5S)-2-bromanyl-3-oxidanylidene-5-phenyl-cyclohexen-1-yl]amino]benzoate Openeye Name: 2-[[(5S)-2-bromo-3-oxo-5-phenyl-cyclohexen-1-yl]amino]benzoate CAS Name: 2-[[(5S)-2-bromo-3-oxo-5-phenyl-1-cyclohexenyl]amino]benzoate IUPAC Name: 2-[[(5S)-2-bromo-3-oxo-5-phenylcyclohexen-1-yl]amino]benzoate Traditional Name: 2-[[(5S)-2-bromo-3-keto-5-phenyl-cyclohexen-1-yl]amino]benzoate Formula: C19H15BrNO3- MolecularWeight: 385.2313

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=C1NC2=CC=CC=C2C(=O)[O-])Br)C3=CC=CC=C3

Isomeric SMILES

C1[C@@H](CC(=O)C(=C1NC2=CC=CC=C2C(=O)[O-])Br)C3=CC=CC=C3

InChI

InChI=1S/C19H16BrNO3/c20-18-16(21-15-9-5-4-8-14(15)19(23)24)10-13(11-17(18)22)12-6-2-1-3-7-12/h1-9,13,21H,10-11H2,(H,23,24)/p-1/t13-/m0/s1