2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]acetamide CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-[(2-chloro-5-nitro-benzyl)-methyl-amino]acetamide Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O4/c1-14(25)19(10-15-6-4-3-5-7-15)22-20(26)13-23(2)12-16-11-17(24(27)28)8-9-18(16)21/h3-9,11,19H,10,12-13H2,1-2H3,(H,22,26)/t19-/m0/s1