N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chloranyl-phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chloranyl-phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-chloro-5-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chlorophenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chlorophenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-chloro-5-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]-2-methyl-3-nitro-benzamide Formula: C25H22ClN3O4 MolecularWeight: 463.91288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H22ClN3O4/c1-4-14(2)16-9-11-23-21(12-16)28-25(33-23)17-8-10-19(26)20(13-17)27-24(30)18-6-5-7-22(15(18)3)29(31)32/h5-14H,4H2,1-3H3,(H,27,30)/t14-/m0/s1