4-[(3-methylsulfanylphenyl)amino]-3-nitro-benzoate

Systemtic Name: 4-[(3-methylsulfanylphenyl)amino]-3-nitro-benzoate Openeye Name: 4-(3-methylsulfanylanilino)-3-nitro-benzoate CAS Name: 4-[3-(methylthio)anilino]-3-nitrobenzoate IUPAC Name: 4-(3-methylsulfanylanilino)-3-nitrobenzoate Traditional Name: 4-[3-(methylthio)anilino]-3-nitro-benzoate Formula: C14H11N2O4S- MolecularWeight: 303.31314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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