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

Systemtic Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 3-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-nitrobenzamide IUPAC Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzamide Formula: C24H21N3O4 MolecularWeight: 415.44124

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4/c1-3-15(2)17-9-12-22-21(14-17)26-24(31-22)16-7-10-19(11-8-16)25-23(28)18-5-4-6-20(13-18)27(29)30/h4-15H,3H2,1-2H3,(H,25,28)