5-nitro-1-[[4-(trifluoromethyloxy)phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 5-nitro-1-[[4-(trifluoromethyloxy)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 5-nitro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid CAS Name: 5-nitro-1-[[4-(trifluoromethoxy)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 5-nitro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 5-nitro-1-[4-(trifluoromethoxy)benzyl]indole-2-carboxylic acid Formula: C17H11F3N2O5 MolecularWeight: 380.27485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=C2C(=O)O)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=C2C(=O)O)OC(F)(F)F

InChI

InChI=1S/C17H11F3N2O5/c18-17(19,20)27-13-4-1-10(2-5-13)9-21-14-6-3-12(22(25)26)7-11(14)8-15(21)16(23)24/h1-8H,9H2,(H,23,24)