[(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(1R)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H17BrN2O7 MolecularWeight: 513.29428

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)O[C@H](C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C23H17BrN2O7/c24-17-13-16(26(29)30)7-8-18(17)25-22(27)21(14-4-2-1-3-5-14)33-23(28)15-6-9-19-20(12-15)32-11-10-31-19/h1-9,12-13,21H,10-11H2,(H,25,27)/t21-/m1/s1