[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C17H13BrN2O4/c1-10(16(22)20-13-5-2-11(9-19)3-6-13)24-17(23)14-8-12(18)4-7-15(14)21/h2-8,10,21H,1H3,(H,20,22)/t10-/m1/s1