4-nitro-2-[[2-(4-phenylmethoxyphenoxy)ethanoylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[2-(4-phenylmethoxyphenoxy)ethanoylamino]methyl]phenolate Openeye Name: 2-[[[2-(4-benzyloxyphenoxy)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 4-nitro-2-[[[1-oxo-2-(4-phenylmethoxyphenoxy)ethyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[2-(4-phenylmethoxyphenoxy)acetyl]amino]methyl]phenolate Traditional Name: 2-[[[2-(4-benzoxyphenoxy)acetyl]amino]methyl]-4-nitro-phenolate Formula: C22H19N2O6- MolecularWeight: 407.39606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H20N2O6/c25-21-11-6-18(24(27)28)12-17(21)13-23-22(26)15-30-20-9-7-19(8-10-20)29-14-16-4-2-1-3-5-16/h1-12,25H,13-15H2,(H,23,26)/p-1