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

Systemtic Name: 4-nitro-2-[[2-(4-phenylphenoxy)ethanoylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[[2-(4-phenylphenoxy)acetyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[1-oxo-2-(4-phenylphenoxy)ethyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[2-(4-phenylphenoxy)acetyl]amino]methyl]phenolate Traditional Name: 4-nitro-2-[[[2-(4-phenylphenoxy)acetyl]amino]methyl]phenolate Formula: C21H17N2O5- MolecularWeight: 377.37008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5/c24-20-11-8-18(23(26)27)12-17(20)13-22-21(25)14-28-19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-12,24H,13-14H2,(H,22,25)/p-1