2-[(2-bromanyl-3-oxidanylidene-cyclohexen-1-yl)amino]benzoic acid

Systemtic Name: 2-[(2-bromanyl-3-oxidanylidene-cyclohexen-1-yl)amino]benzoic acid Openeye Name: 2-[(2-bromo-3-oxo-cyclohexen-1-yl)amino]benzoic acid CAS Name: 2-[(2-bromo-3-oxo-1-cyclohexenyl)amino]benzoic acid IUPAC Name: 2-[(2-bromo-3-oxocyclohexen-1-yl)amino]benzoic acid Traditional Name: 2-[(2-bromo-3-keto-cyclohexen-1-yl)amino]benzoic acid Formula: C13H12BrNO3 MolecularWeight: 310.14328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)Br)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CC(=C(C(=O)C1)Br)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H12BrNO3/c14-12-10(6-3-7-11(12)16)15-9-5-2-1-4-8(9)13(17)18/h1-2,4-5,15H,3,6-7H2,(H,17,18)