5-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]-2-nitro-phenolate Openeye Name: 5-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]-2-nitro-phenolate CAS Name: 5-[[methyl-[[4-(methylthio)phenyl]methyl]amino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]-2-nitrophenolate Traditional Name: 5-[methyl-[4-(methylthio)benzyl]carbamoyl]-2-nitro-phenolate Formula: C16H15N2O4S- MolecularWeight: 331.3663

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H16N2O4S/c1-17(10-11-3-6-13(23-2)7-4-11)16(20)12-5-8-14(18(21)22)15(19)9-12/h3-9,19H,10H2,1-2H3/p-1