2-[(3-methylsulfanylphenyl)amino]-5-nitro-benzoate

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]-5-nitro-benzoate Openeye Name: 2-(3-methylsulfanylanilino)-5-nitro-benzoate CAS Name: 2-[3-(methylthio)anilino]-5-nitrobenzoate IUPAC Name: 2-(3-methylsulfanylanilino)-5-nitrobenzoate Traditional Name: 2-[3-(methylthio)anilino]-5-nitro-benzoate Formula: C14H11N2O4S- MolecularWeight: 303.31314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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