5-[(4-methylsulfanylphenyl)amino]-2-nitro-benzoate

Systemtic Name: 5-[(4-methylsulfanylphenyl)amino]-2-nitro-benzoate Openeye Name: 5-(4-methylsulfanylanilino)-2-nitro-benzoate CAS Name: 5-[4-(methylthio)anilino]-2-nitrobenzoate IUPAC Name: 5-(4-methylsulfanylanilino)-2-nitrobenzoate Traditional Name: 5-[4-(methylthio)anilino]-2-nitro-benzoate Formula: C14H11N2O4S- MolecularWeight: 303.31314

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H12N2O4S/c1-21-11-5-2-9(3-6-11)15-10-4-7-13(16(19)20)12(8-10)14(17)18/h2-8,15H,1H3,(H,17,18)/p-1