tert-butyl N-[2-[4-[(6-chloranyl-3-nitro-2-oxidanyl-phenyl)carbonylamino]phenyl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4-[(6-chloranyl-3-nitro-2-oxidanyl-phenyl)carbonylamino]phenyl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-[(6-chloro-2-hydroxy-3-nitro-benzoyl)amino]phenyl]ethyl]carbamate CAS Name: N-[2-[4-[[(6-chloro-2-hydroxy-3-nitrophenyl)-oxomethyl]amino]phenyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[(6-chloro-2-hydroxy-3-nitrobenzoyl)amino]phenyl]ethyl]carbamate Traditional Name: N-[2-[4-[(6-chloro-2-hydroxy-3-nitro-benzoyl)amino]phenyl]ethyl]carbamic acid tert-butyl ester Formula: C20H22ClN3O6 MolecularWeight: 435.85818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2O)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2O)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O6/c1-20(2,3)30-19(27)22-11-10-12-4-6-13(7-5-12)23-18(26)16-14(21)8-9-15(17(16)25)24(28)29/h4-9,25H,10-11H2,1-3H3,(H,22,27)(H,23,26)