2-[(4-methylsulfanylphenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[(4-methylsulfanylphenyl)amino]-5-nitro-benzoic acid Openeye Name: 2-(4-methylsulfanylanilino)-5-nitro-benzoic acid CAS Name: 2-[4-(methylthio)anilino]-5-nitrobenzoic acid IUPAC Name: 2-(4-methylsulfanylanilino)-5-nitrobenzoic acid Traditional Name: 2-[4-(methylthio)anilino]-5-nitro-benzoic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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