[(1R)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(dimethylamino)benzoate

Systemtic Name: [(1R)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(dimethylamino)benzoate Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [(1R)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H20ClN3O5 MolecularWeight: 453.875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C1=CC=CC(=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/C23H20ClN3O5/c1-26(2)17-10-6-9-16(13-17)23(29)32-21(15-7-4-3-5-8-15)22(28)25-20-12-11-18(27(30)31)14-19(20)24/h3-14,21H,1-2H3,(H,25,28)/t21-/m1/s1