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

Systemtic Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitro-benzamide Openeye Name: 3-methyl-4-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]-3-methyl-4-nitrobenzamide IUPAC Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide Traditional Name: 3-methyl-4-nitro-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzamide Formula: C25H23N3O4 MolecularWeight: 429.46782

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4/c1-4-15(2)18-8-12-23-21(14-18)27-25(32-23)17-5-9-20(10-6-17)26-24(29)19-7-11-22(28(30)31)16(3)13-19/h5-15H,4H2,1-3H3,(H,26,29)