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

Systemtic Name: 2-[5-(3-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline Openeye Name: 2-[5-(3-chloro-4-fluoro-phenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline CAS Name: 2-[5-(3-chloro-4-fluorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propylaniline IUPAC Name: 2-[5-(3-chloro-4-fluorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propylaniline Traditional Name: [2-[5-(3-chloro-4-fluoro-phenyl)-1,3-benzoxazol-2-yl]-4-nitro-phenyl]-propyl-amine Formula: C22H17ClFN3O3 MolecularWeight: 425.840083

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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(=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClFN3O3/c1-2-9-25-19-7-5-15(27(28)29)12-16(19)22-26-20-11-14(4-8-21(20)30-22)13-3-6-18(24)17(23)10-13/h3-8,10-12,25H,2,9H2,1H3