2-[[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(2-methoxy-4-methylsulfanyl-benzoyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-methoxy-4-(methylthio)benzoyl]amino]methyl]-4-nitro-phenolate Formula: C16H15N2O5S- MolecularWeight: 347.3657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S/c1-23-15-8-12(24-2)4-5-13(15)16(20)17-9-10-7-11(18(21)22)3-6-14(10)19/h3-8,19H,9H2,1-2H3,(H,17,20)/p-1