4-nitro-N-[[[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]amino]methyl]benzamide

Systemtic Name: 4-nitro-N-[[[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]amino]methyl]benzamide Openeye Name: N-[[[(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]amino]methyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[[[(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]amino]methyl]benzamide IUPAC Name: N-[[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]methyl]-4-nitrobenzamide Traditional Name: N-[[[(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl]amino]methyl]-4-nitro-benzamide Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)NCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)NCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c1-13(17(23)19-11-14-5-3-2-4-6-14)20-12-21-18(24)15-7-9-16(10-8-15)22(25)26/h2-10,13,20H,11-12H2,1H3,(H,19,23)(H,21,24)/t13-/m0/s1