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

Systemtic Name: N-[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitro-benzamide Openeye Name: N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitro-benzamide CAS Name: N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide IUPAC Name: N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide Traditional Name: N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitro-benzamide Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])Cl

InChI

InChI=1S/C22H16ClN3O4/c1-2-13-7-10-20-18(11-13)25-22(30-20)16-12-14(8-9-17(16)23)24-21(27)15-5-3-4-6-19(15)26(28)29/h3-12H,2H2,1H3,(H,24,27)