[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2,5-dimethylfuran-3-carboxylate

Systemtic Name: [(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2,5-dimethylfuran-3-carboxylate Openeye Name: [(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2,5-dimethylfuran-3-carboxylate CAS Name: 2,5-dimethyl-3-furancarboxylic acid [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate Traditional Name: 2,5-dimethylfuran-3-carboxylic acid [(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6/c1-13-9-10-18(19(11-13)24(27)28)23-21(25)20(16-7-5-4-6-8-16)30-22(26)17-12-14(2)29-15(17)3/h4-12,20H,1-3H3,(H,23,25)/t20-/m0/s1