ethyl 3-[(4-tert-butyl-3-nitro-phenyl)carbonyl-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[(4-tert-butyl-3-nitro-phenyl)carbonyl-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[(4-tert-butyl-3-nitro-benzoyl)-methylsulfonyl-amino]benzoate CAS Name: 3-[[(4-tert-butyl-3-nitrophenyl)-oxomethyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-tert-butyl-3-nitrobenzoyl)-methylsulfonylamino]benzoate Traditional Name: 3-[(4-tert-butyl-3-nitro-benzoyl)-mesyl-amino]benzoic acid ethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-6-30-20(25)15-8-7-9-16(12-15)22(31(5,28)29)19(24)14-10-11-17(21(2,3)4)18(13-14)23(26)27/h7-13H,6H2,1-5H3