5-[(3-methylsulfanylphenyl)amino]-2-nitro-benzoic acid

Systemtic Name: 5-[(3-methylsulfanylphenyl)amino]-2-nitro-benzoic acid Openeye Name: 5-(3-methylsulfanylanilino)-2-nitro-benzoic acid CAS Name: 5-[3-(methylthio)anilino]-2-nitrobenzoic acid IUPAC Name: 5-(3-methylsulfanylanilino)-2-nitrobenzoic acid Traditional Name: 5-[3-(methylthio)anilino]-2-nitro-benzoic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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