2-[4-[2-(4-fluorophenyl)ethylamino]-3-nitro-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[2-(4-fluorophenyl)ethylamino]-3-nitro-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[2-(4-fluorophenyl)ethylamino]-3-nitro-benzoyl]benzoic acid CAS Name: 2-[[4-[2-(4-fluorophenyl)ethylamino]-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzoyl]benzoic acid Traditional Name: 2-[4-[2-(4-fluorophenyl)ethylamino]-3-nitro-benzoyl]benzoic acid Formula: C22H17FN2O5 MolecularWeight: 408.379183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H17FN2O5/c23-16-8-5-14(6-9-16)11-12-24-19-10-7-15(13-20(19)25(29)30)21(26)17-3-1-2-4-18(17)22(27)28/h1-10,13,24H,11-12H2,(H,27,28)