tert-butyl N-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(benzyloxymethyl)-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]carbamate CAS Name: N-[1-(2-methyl-5-nitroanilino)-1-oxo-3-phenylmethoxypropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-methyl-5-nitroanilino)-1-oxo-3-phenylmethoxypropan-2-yl]carbamate Traditional Name: N-[1-(benzoxymethyl)-2-keto-2-(2-methyl-5-nitro-anilino)ethyl]carbamic acid tert-butyl ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(COCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(COCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

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