3-[2,4-bis(fluoranyl)phenoxy]-3-phenyl-propan-1-amine; 2,4-dinitrobenzoic acid

Systemtic Name: 3-[2,4-bis(fluoranyl)phenoxy]-3-phenyl-propan-1-amine; 2,4-dinitrobenzoic acid Openeye Name: 3-(2,4-difluorophenoxy)-3-phenyl-propan-1-amine; 2,4-dinitrobenzoic acid CAS Name: 3-(2,4-difluorophenoxy)-3-phenyl-1-propanamine; 2,4-dinitrobenzoic acid IUPAC Name: 3-(2,4-difluorophenoxy)-3-phenylpropan-1-amine; 2,4-dinitrobenzoic acid Traditional Name: [3-(2,4-difluorophenoxy)-3-phenyl-propyl]amine; 2,4-dinitrobenzoic acid Formula: C22H19F2N3O7 MolecularWeight: 475.398966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN)OC2=C(C=C(C=C2)F)F.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CCN)OC2=C(C=C(C=C2)F)F.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H15F2NO.C7H4N2O6/c16-12-6-7-15(13(17)10-12)19-14(8-9-18)11-4-2-1-3-5-11;10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-7,10,14H,8-9,18H2;1-3H,(H,10,11)