2-[[3-bromanyl-4-[(4,4-dimethyl-3-oxidanylidene-1,2-oxazolidin-2-yl)methyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-bromanyl-4-[(4,4-dimethyl-3-oxidanylidene-1,2-oxazolidin-2-yl)methyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-bromo-4-[(4,4-dimethyl-3-oxo-isoxazolidin-2-yl)methyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[3-bromo-4-[(4,4-dimethyl-3-oxo-2-isoxazolidinyl)methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-bromo-4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-bromo-4-[(3-keto-4,4-dimethyl-isoxazolidin-2-yl)methyl]phenyl]carbamoyl]benzoic acid Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CON(C1=O)CC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)Br)C

Isomeric SMILES

CC1(CON(C1=O)CC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)Br)C

InChI

InChI=1S/C20H19BrN2O5/c1-20(2)11-28-23(19(20)27)10-12-7-8-13(9-16(12)21)22-17(24)14-5-3-4-6-15(14)18(25)26/h3-9H,10-11H2,1-2H3,(H,22,24)(H,25,26)