[(1S)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-tert-butylbenzoate

Systemtic Name: [(1S)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-tert-butylbenzoate Openeye Name: [(1S)-2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(1S)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(1S)-2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H23ClN2O5 MolecularWeight: 466.91352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN2O5/c1-25(2,3)18-11-9-17(10-12-18)24(30)33-22(16-7-5-4-6-8-16)23(29)27-21-14-13-19(28(31)32)15-20(21)26/h4-15,22H,1-3H3,(H,27,29)/t22-/m0/s1