tert-butyl N-[(2-fluoranyl-5-nitro-phenyl)carbonyl-[4-methyl-1-oxidanylidene-1-(propan-2-ylamino)pentan-2-yl]amino]carbamate

Systemtic Name: tert-butyl N-[(2-fluoranyl-5-nitro-phenyl)carbonyl-[4-methyl-1-oxidanylidene-1-(propan-2-ylamino)pentan-2-yl]amino]carbamate Openeye Name: tert-butyl N-[(2-fluoro-5-nitro-benzoyl)-[1-(isopropylcarbamoyl)-3-methyl-butyl]amino]carbamate CAS Name: N-[[(2-fluoro-5-nitrophenyl)-oxomethyl]-[4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-fluoro-5-nitrobenzoyl)-[4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]carbamate Traditional Name: N-[(2-fluoro-5-nitro-benzoyl)-[1-(isopropylcarbamoyl)-3-methyl-butyl]amino]carbamic acid tert-butyl ester Formula: C21H31FN4O6 MolecularWeight: 454.492443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C)N(C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC(C)C)N(C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31FN4O6/c1-12(2)10-17(18(27)23-13(3)4)25(24-20(29)32-21(5,6)7)19(28)15-11-14(26(30)31)8-9-16(15)22/h8-9,11-13,17H,10H2,1-7H3,(H,23,27)(H,24,29)