2-[(2-methyl-4-methylsulfanyl-phenyl)amino]-4-nitro-benzoic acid

Systemtic Name: 2-[(2-methyl-4-methylsulfanyl-phenyl)amino]-4-nitro-benzoic acid Openeye Name: 2-(2-methyl-4-methylsulfanyl-anilino)-4-nitro-benzoic acid CAS Name: 2-[2-methyl-4-(methylthio)anilino]-4-nitrobenzoic acid IUPAC Name: 2-(2-methyl-4-methylsulfanylanilino)-4-nitrobenzoic acid Traditional Name: 2-[2-methyl-4-(methylthio)anilino]-4-nitro-benzoic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H14N2O4S/c1-9-7-11(22-2)4-6-13(9)16-14-8-10(17(20)21)3-5-12(14)15(18)19/h3-8,16H,1-2H3,(H,18,19)