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

Systemtic Name: N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chloranyl-phenyl]-3-nitro-benzamide Openeye Name: N-[2-chloro-5-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]-3-nitro-benzamide CAS Name: N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chlorophenyl]-3-nitrobenzamide IUPAC Name: N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chlorophenyl]-3-nitrobenzamide Traditional Name: N-[2-chloro-5-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]-3-nitro-benzamide Formula: C24H20ClN3O4 MolecularWeight: 449.8863

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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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O4/c1-3-14(2)15-8-10-22-21(12-15)27-24(32-22)17-7-9-19(25)20(13-17)26-23(29)16-5-4-6-18(11-16)28(30)31/h4-14H,3H2,1-2H3,(H,26,29)/t14-/m0/s1