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

Systemtic Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-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]-3,5-dinitrobenzamide IUPAC Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzamide Formula: C24H20N4O6 MolecularWeight: 460.4388

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

InChI

InChI=1S/C24H20N4O6/c1-3-14(2)16-6-9-22-21(12-16)26-24(34-22)15-4-7-18(8-5-15)25-23(29)17-10-19(27(30)31)13-20(11-17)28(32)33/h4-14H,3H2,1-2H3,(H,25,29)