5-[[(1S)-1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[[(1S)-1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]carbamoyl]-2-nitro-phenolate Openeye Name: 5-[[(1S)-3-isopropoxy-3-oxo-1-(p-tolyl)propyl]carbamoyl]-2-nitro-phenolate CAS Name: 5-[[[(1S)-1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]amino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[[(1S)-1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]carbamoyl]-2-nitrophenolate Traditional Name: 5-[[(1S)-3-isopropoxy-3-keto-1-(p-tolyl)propyl]carbamoyl]-2-nitro-phenolate Formula: C20H21N2O6- MolecularWeight: 385.39054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-12(2)28-19(24)11-16(14-6-4-13(3)5-7-14)21-20(25)15-8-9-17(22(26)27)18(23)10-15/h4-10,12,16,23H,11H2,1-3H3,(H,21,25)/p-1/t16-/m0/s1