(4-methylsulfanylphenyl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [4-(methylthio)benzyl] ester Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4S/c1-17-14-8-5-12(9-15(14)18(20)21)16(19)22-10-11-3-6-13(23-2)7-4-11/h3-9,17H,10H2,1-2H3