2-[[(5S)-2-chloranyl-3-oxidanylidene-5-phenyl-cyclohexen-1-yl]amino]benzoic acid

Systemtic Name: 2-[[(5S)-2-chloranyl-3-oxidanylidene-5-phenyl-cyclohexen-1-yl]amino]benzoic acid Openeye Name: 2-[[(5S)-2-chloro-3-oxo-5-phenyl-cyclohexen-1-yl]amino]benzoic acid CAS Name: 2-[[(5S)-2-chloro-3-oxo-5-phenyl-1-cyclohexenyl]amino]benzoic acid IUPAC Name: 2-[[(5S)-2-chloro-3-oxo-5-phenylcyclohexen-1-yl]amino]benzoic acid Traditional Name: 2-[[(5S)-2-chloro-3-keto-5-phenyl-cyclohexen-1-yl]amino]benzoic acid Formula: C19H16ClNO3 MolecularWeight: 341.78824

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=C1NC2=CC=CC=C2C(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO3/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)/t13-/m0/s1