N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chloranyl-phenyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chloranyl-phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-chloro-5-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chlorophenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chlorophenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-chloro-5-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]-3-methyl-4-nitro-benzamide Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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