[(1S)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [(1S)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [(1S)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [(1S)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [(1S)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H17BrN2O6 MolecularWeight: 485.28418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)O

InChI

InChI=1S/C22H17BrN2O6/c1-13-7-8-15(11-19(13)26)22(28)31-20(14-5-3-2-4-6-14)21(27)24-18-10-9-16(25(29)30)12-17(18)23/h2-12,20,26H,1H3,(H,24,27)/t20-/m0/s1