(2S)-N-(tert-butylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(tert-butylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Openeye Name: (2S)-N-(tert-butylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-[(tert-butylamino)-oxomethyl]-2-[4-(2-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(tert-butylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: (2S)-N-(tert-butylcarbamoyl)-2-[4-(2-nitrophenyl)piperazino]propionamide Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O4/c1-13(16(24)19-17(25)20-18(2,3)4)21-9-11-22(12-10-21)14-7-5-6-8-15(14)23(26)27/h5-8,13H,9-12H2,1-4H3,(H2,19,20,24,25)/t13-/m0/s1