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

Systemtic Name: 2-[[2-(4-methylphenyl)sulfanylethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 4-nitro-2-[[[2-(p-tolylsulfanyl)acetyl]amino]methyl]phenolate CAS Name: 2-[[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[[[2-(p-tolylthio)acetyl]amino]methyl]phenolate Formula: C16H15N2O4S- MolecularWeight: 331.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H16N2O4S/c1-11-2-5-14(6-3-11)23-10-16(20)17-9-12-8-13(18(21)22)4-7-15(12)19/h2-8,19H,9-10H2,1H3,(H,17,20)/p-1