tert-butyl N-[2-[methyl-[3-nitro-4-(4-nitrophenoxy)phenyl]sulfonyl-amino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[methyl-[3-nitro-4-(4-nitrophenoxy)phenyl]sulfonyl-amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[methyl-[3-nitro-4-(4-nitrophenoxy)phenyl]sulfonyl-amino]ethyl]carbamate CAS Name: N-[2-[methyl-[3-nitro-4-(4-nitrophenoxy)phenyl]sulfonylamino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[methyl-[3-nitro-4-(4-nitrophenoxy)phenyl]sulfonylamino]ethyl]carbamate Traditional Name: N-[2-[methyl-[3-nitro-4-(4-nitrophenoxy)phenyl]sulfonyl-amino]ethyl]carbamic acid tert-butyl ester Formula: C20H24N4O9S MolecularWeight: 496.49096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN(C)S(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCN(C)S(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O9S/c1-20(2,3)33-19(25)21-11-12-22(4)34(30,31)16-9-10-18(17(13-16)24(28)29)32-15-7-5-14(6-8-15)23(26)27/h5-10,13H,11-12H2,1-4H3,(H,21,25)