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

Systemtic Name: N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-2,4-dinitro-benzamide Openeye Name: N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-2,4-dinitro-benzamide CAS Name: N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide IUPAC Name: N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide Traditional Name: 2,4-dinitro-N-(2-p-phenetyl-1,3-benzoxazol-5-yl)benzamide Formula: C22H16N4O7 MolecularWeight: 448.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O7/c1-2-32-16-7-3-13(4-8-16)22-24-18-11-14(5-10-20(18)33-22)23-21(27)17-9-6-15(25(28)29)12-19(17)26(30)31/h3-12H,2H2,1H3,(H,23,27)