tert-butyl N-[2-[4-[(2-chloranyl-5-nitro-phenyl)carbonylamino]phenyl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4-[(2-chloranyl-5-nitro-phenyl)carbonylamino]phenyl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-[(2-chloro-5-nitro-benzoyl)amino]phenyl]ethyl]carbamate CAS Name: N-[2-[4-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]phenyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]ethyl]carbamate Traditional Name: N-[2-[4-[(2-chloro-5-nitro-benzoyl)amino]phenyl]ethyl]carbamic acid tert-butyl ester Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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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(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5/c1-20(2,3)29-19(26)22-11-10-13-4-6-14(7-5-13)23-18(25)16-12-15(24(27)28)8-9-17(16)21/h4-9,12H,10-11H2,1-3H3,(H,22,26)(H,23,25)