2-methoxy-4-[[(2-methylsulfanylphenyl)amino]methyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[[(2-methylsulfanylphenyl)amino]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(2-methylsulfanylanilino)methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[[2-(methylthio)anilino]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(2-methylsulfanylanilino)methyl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[[2-(methylthio)anilino]methyl]-6-nitro-phenolate Formula: C15H15N2O4S- MolecularWeight: 319.3556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])CNC2=CC=CC=C2SC

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])CNC2=CC=CC=C2SC

InChI

InChI=1S/C15H16N2O4S/c1-21-13-8-10(7-12(15(13)18)17(19)20)9-16-11-5-3-4-6-14(11)22-2/h3-8,16,18H,9H2,1-2H3/p-1