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

Systemtic Name: [(1R)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(1R)-2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C24H23N3O6 MolecularWeight: 449.45592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O6/c1-26(2)20-13-12-17(14-21(20)27(30)31)24(29)33-22(16-8-5-4-6-9-16)23(28)25-18-10-7-11-19(15-18)32-3/h4-15,22H,1-3H3,(H,25,28)/t22-/m1/s1