4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-2-methyl-1-(2-pyridylmethylcarbamoyl)propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-(2-pyridylmethylcarbamoyl)propyl]-3-nitro-benzamide Formula: C18H19ClN4O4 MolecularWeight: 390.82086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O4/c1-11(2)16(18(25)21-10-13-5-3-4-8-20-13)22-17(24)12-6-7-14(19)15(9-12)23(26)27/h3-9,11,16H,10H2,1-2H3,(H,21,25)(H,22,24)/t16-/m0/s1