tert-butyl N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamate Openeye Name: tert-butyl N-[2-benzyloxy-1-[(4-nitrophenyl)carbamoyl]propyl]carbamate CAS Name: N-[1-(4-nitroanilino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-nitroanilino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamate Traditional Name: N-[2-benzoxy-1-[(4-nitrophenyl)carbamoyl]propyl]carbamic acid tert-butyl ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O6/c1-15(30-14-16-8-6-5-7-9-16)19(24-21(27)31-22(2,3)4)20(26)23-17-10-12-18(13-11-17)25(28)29/h5-13,15,19H,14H2,1-4H3,(H,23,26)(H,24,27)