2-[[1-[bis(fluoranyl)methyl]-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 2-[[1-[bis(fluoranyl)methyl]-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 2-[[1-(difluoromethyl)-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 2-[[1-(difluoromethyl)-5-nitro-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 2-[[1-(difluoromethyl)-5-nitroindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 2-[[1-(difluoromethyl)-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C18H14F2N2O5 MolecularWeight: 376.310966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])C(F)F)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])C(F)F)C(=O)O

InChI

InChI=1S/C18H14F2N2O5/c1-27-16-4-2-3-12(17(23)24)14(16)7-10-9-21(18(19)20)15-6-5-11(22(25)26)8-13(10)15/h2-6,8-9,18H,7H2,1H3,(H,23,24)