[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H19ClN2O5 MolecularWeight: 438.86036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H19ClN2O5/c1-14-8-9-15(2)20(12-14)25-22(27)21(16-6-4-3-5-7-16)31-23(28)18-13-17(26(29)30)10-11-19(18)24/h3-13,21H,1-2H3,(H,25,27)/t21-/m0/s1