2-[2-nitro-4,6-bis(trifluoromethyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-nitro-4,6-bis(trifluoromethyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-nitro-4,6-bis(trifluoromethyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[2-nitro-4,6-bis(trifluoromethyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-nitro-4,6-bis(trifluoromethyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-nitro-4,6-bis(trifluoromethyl)-1H-indol-3-yl]acetic acid Formula: C12H6F6N2O4 MolecularWeight: 356.177459

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1C(F)(F)F)C(=C(N2)[N+](=O)[O-])CC(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(C=C2C(=C1C(F)(F)F)C(=C(N2)[N+](=O)[O-])CC(=O)O)C(F)(F)F

InChI

InChI=1S/C12H6F6N2O4/c13-11(14,15)4-1-6(12(16,17)18)9-5(3-8(21)22)10(20(23)24)19-7(9)2-4/h1-2,19H,3H2,(H,21,22)