2-[5-[3,5-bis(fluoranyl)phenyl]-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline

Systemtic Name: 2-[5-[3,5-bis(fluoranyl)phenyl]-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline Openeye Name: 2-[5-(3,5-difluorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline CAS Name: 2-[5-(3,5-difluorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propylaniline IUPAC Name: 2-[5-(3,5-difluorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propylaniline Traditional Name: [2-[5-(3,5-difluorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-phenyl]-propyl-amine Formula: C22H17F2N3O3 MolecularWeight: 409.385486

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(O2)C=CC(=C3)C4=CC(=CC(=C4)F)F

Isomeric SMILES

CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(O2)C=CC(=C3)C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C22H17F2N3O3/c1-2-7-25-19-5-4-17(27(28)29)12-18(19)22-26-20-10-13(3-6-21(20)30-22)14-8-15(23)11-16(24)9-14/h3-6,8-12,25H,2,7H2,1H3