N-[(2S)-1-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-methyl-2-[4-(4-methyl-1-piperidyl)anilino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[4-(4-methyl-1-piperidinyl)anilino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[4-(4-methylpiperidin-1-yl)anilino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[4-(4-methylpiperidino)anilino]ethyl]-3-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H](C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-15-10-12-25(13-11-15)19-8-6-18(7-9-19)24-21(27)16(2)23-22(28)17-4-3-5-20(14-17)26(29)30/h3-9,14-16H,10-13H2,1-2H3,(H,23,28)(H,24,27)/t16-/m0/s1