[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C26H25N3O7 MolecularWeight: 491.4926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O7/c1-34-21-9-5-8-20(17-21)27-25(30)24(18-6-3-2-4-7-18)36-26(31)19-10-11-22(23(16-19)29(32)33)28-12-14-35-15-13-28/h2-11,16-17,24H,12-15H2,1H3,(H,27,30)/t24-/m0/s1