[(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-oxidanylbenzoate

Systemtic Name: [(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-oxidanylbenzoate Openeye Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [(1R)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H15BrN2O6 MolecularWeight: 471.2576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=CC=C(C=C3)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H15BrN2O6/c22-17-12-15(24(28)29)8-11-18(17)23-20(26)19(13-4-2-1-3-5-13)30-21(27)14-6-9-16(25)10-7-14/h1-12,19,25H,(H,23,26)/t19-/m1/s1