[2-[[2-nitro-4-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]amino]cyclohexyl] ethanoate

Systemtic Name: [2-[[2-nitro-4-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]amino]cyclohexyl] ethanoate Openeye Name: [2-[4-(2-hydroxy-2-phenyl-acetyl)-2-nitro-anilino]cyclohexyl] acetate CAS Name: acetic acid [2-[4-(2-hydroxy-1-oxo-2-phenylethyl)-2-nitroanilino]cyclohexyl] ester IUPAC Name: [2-[4-(2-hydroxy-2-phenylacetyl)-2-nitroanilino]cyclohexyl] acetate Traditional Name: acetic acid [2-(4-mandeloyl-2-nitro-anilino)cyclohexyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCCC1NC2=C(C=C(C=C2)C(=O)C(C3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1CCCCC1NC2=C(C=C(C=C2)C(=O)C(C3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-14(25)30-20-10-6-5-9-18(20)23-17-12-11-16(13-19(17)24(28)29)22(27)21(26)15-7-3-2-4-8-15/h2-4,7-8,11-13,18,20-21,23,26H,5-6,9-10H2,1H3