[2-oxidanylidene-2-[[2-(1-phenylethylcarbamoyl)phenyl]amino]ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(1-phenylethylcarbamoyl)phenyl]amino]ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-[2-[oxo-(1-phenylethylamino)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] ester Formula: C25H23N3O6 MolecularWeight: 461.46662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O6/c1-16-14-19(12-13-22(16)28(32)33)25(31)34-15-23(29)27-21-11-7-6-10-20(21)24(30)26-17(2)18-8-4-3-5-9-18/h3-14,17H,15H2,1-2H3,(H,26,30)(H,27,29)