4-[2,2-bis(fluoranyl)-1-(5-nitro-1H-indol-3-yl)ethyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[2,2-bis(fluoranyl)-1-(5-nitro-1H-indol-3-yl)ethyl]-3-methoxy-benzoic acid Openeye Name: 4-[2,2-difluoro-1-(5-nitro-1H-indol-3-yl)ethyl]-3-methoxy-benzoic acid CAS Name: 4-[2,2-difluoro-1-(5-nitro-1H-indol-3-yl)ethyl]-3-methoxybenzoic acid IUPAC Name: 4-[2,2-difluoro-1-(5-nitro-1H-indol-3-yl)ethyl]-3-methoxybenzoic acid Traditional Name: 4-[2,2-difluoro-1-(5-nitro-1H-indol-3-yl)ethyl]-3-methoxy-benzoic acid Formula: C18H14F2N2O5 MolecularWeight: 376.310966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)C(C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)C(C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C(F)F

InChI

InChI=1S/C18H14F2N2O5/c1-27-15-6-9(18(23)24)2-4-11(15)16(17(19)20)13-8-21-14-5-3-10(22(25)26)7-12(13)14/h2-8,16-17,21H,1H3,(H,23,24)