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

Systemtic Name: 4-nitro-2-[[2-[4-(phenylcarbonyl)phenoxy]ethanoylamino]methyl]phenolate Openeye Name: 2-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(4-benzoylphenoxy)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(4-benzoylphenoxy)acetyl]amino]methyl]-4-nitro-phenolate Formula: C22H17N2O6- MolecularWeight: 405.38018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O6/c25-20-11-8-18(24(28)29)12-17(20)13-23-21(26)14-30-19-9-6-16(7-10-19)22(27)15-4-2-1-3-5-15/h1-12,25H,13-14H2,(H,23,26)/p-1