butyl 4-[(4-methylsulfonyl-2-nitro-phenyl)amino]benzoate

Systemtic Name: butyl 4-[(4-methylsulfonyl-2-nitro-phenyl)amino]benzoate Openeye Name: butyl 4-(4-methylsulfonyl-2-nitro-anilino)benzoate CAS Name: 4-(4-methylsulfonyl-2-nitroanilino)benzoic acid butyl ester IUPAC Name: butyl 4-(4-methylsulfonyl-2-nitroanilino)benzoate Traditional Name: 4-(4-mesyl-2-nitro-anilino)benzoic acid butyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-3-4-11-26-18(21)13-5-7-14(8-6-13)19-16-10-9-15(27(2,24)25)12-17(16)20(22)23/h5-10,12,19H,3-4,11H2,1-2H3