2-[2-(4-methylphenyl)sulfanylethanoylamino]-4-nitro-phenolate

Systemtic Name: 2-[2-(4-methylphenyl)sulfanylethanoylamino]-4-nitro-phenolate Openeye Name: 4-nitro-2-[[2-(p-tolylsulfanyl)acetyl]amino]phenolate CAS Name: 2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[2-(4-methylphenyl)sulfanylacetyl]amino]-4-nitrophenolate Traditional Name: 4-nitro-2-[[2-(p-tolylthio)acetyl]amino]phenolate Formula: C15H13N2O4S- MolecularWeight: 317.33972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H14N2O4S/c1-10-2-5-12(6-3-10)22-9-15(19)16-13-8-11(17(20)21)4-7-14(13)18/h2-8,18H,9H2,1H3,(H,16,19)/p-1