4-nitro-2-[[2-[2-(phenylmethyl)phenoxy]ethanoylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[2-[2-(phenylmethyl)phenoxy]ethanoylamino]methyl]phenolate Openeye Name: 2-[[[2-(2-benzylphenoxy)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 4-nitro-2-[[[1-oxo-2-[2-(phenylmethyl)phenoxy]ethyl]amino]methyl]phenolate IUPAC Name: 2-[[[2-(2-benzylphenoxy)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(2-benzylphenoxy)acetyl]amino]methyl]-4-nitro-phenolate Formula: C22H19N2O5- MolecularWeight: 391.39666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2OCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2OCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H20N2O5/c25-20-11-10-19(24(27)28)13-18(20)14-23-22(26)15-29-21-9-5-4-8-17(21)12-16-6-2-1-3-7-16/h1-11,13,25H,12,14-15H2,(H,23,26)/p-1