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

Systemtic Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-chloranyl-5-nitro-benzamide Openeye Name: 2-chloro-5-nitro-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzamide CAS Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-nitrobenzamide Traditional Name: 2-chloro-5-nitro-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]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)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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