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

Systemtic Name: 2-[[2-(4-ethylphenoxy)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(4-ethylphenoxy)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-4-nitro-phenolate Formula: C17H17N2O5- MolecularWeight: 329.32728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H18N2O5/c1-2-12-3-6-15(7-4-12)24-11-17(21)18-10-13-9-14(19(22)23)5-8-16(13)20/h3-9,20H,2,10-11H2,1H3,(H,18,21)/p-1