2-[[2-(4-methoxyphenyl)sulfanylethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(4-methoxyphenyl)sulfanylethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(4-methoxyphenyl)sulfanylacetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[(4-methoxyphenyl)thio]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(4-methoxyphenyl)sulfanylacetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[(4-methoxyphenyl)thio]acetyl]amino]methyl]-4-nitro-phenolate Formula: C16H15N2O5S- MolecularWeight: 347.3657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H16N2O5S/c1-23-13-3-5-14(6-4-13)24-10-16(20)17-9-11-8-12(18(21)22)2-7-15(11)19/h2-8,19H,9-10H2,1H3,(H,17,20)/p-1