2-[[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]methyl]-6-ethoxy-4-nitro-phenol

Systemtic Name: 2-[[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]methyl]-6-ethoxy-4-nitro-phenol Openeye Name: 2-[[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]methyl]-6-ethoxy-4-nitro-phenol CAS Name: 2-[[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]methyl]-6-ethoxy-4-nitrophenol IUPAC Name: 2-[[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]methyl]-6-ethoxy-4-nitrophenol Traditional Name: 2-[[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]methyl]-6-ethoxy-4-nitro-phenol Formula: C22H17Cl2N3O5 MolecularWeight: 474.29348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])CNC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)Cl)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])CNC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C22H17Cl2N3O5/c1-2-31-20-10-15(27(29)30)7-12(21(20)28)11-25-14-4-6-19-18(9-14)26-22(32-19)16-5-3-13(23)8-17(16)24/h3-10,25,28H,2,11H2,1H3