tert-butyl N-[(2S)-1-(2-dimethylaminoethylamino)-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(2-dimethylaminoethylamino)-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(2-dimethylaminoethylamino)-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(2-dimethylaminoethylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(2-dimethylaminoethylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(2-dimethylaminoethylamino)-2-keto-1-(4-nitrobenzyl)ethyl]carbamic acid tert-butyl ester Formula: C18H28N4O5 MolecularWeight: 380.43872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCCN(C)C

InChI

InChI=1S/C18H28N4O5/c1-18(2,3)27-17(24)20-15(16(23)19-10-11-21(4)5)12-13-6-8-14(9-7-13)22(25)26/h6-9,15H,10-12H2,1-5H3,(H,19,23)(H,20,24)/t15-/m0/s1