methyl 4-(2-fluoranyl-4-nitro-phenoxy)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Systemtic Name: methyl 4-(2-fluoranyl-4-nitro-phenoxy)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Openeye Name: methyl 4-(2-fluoro-4-nitro-phenoxy)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate CAS Name: 4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Traditional Name: 4-(2-fluoro-4-nitro-phenoxy)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester Formula: C15H10FN3O5 MolecularWeight: 331.255403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

COC(=O)C1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C15H10FN3O5/c1-23-15(20)9-7-18-14-13(9)12(4-5-17-14)24-11-3-2-8(19(21)22)6-10(11)16/h2-7H,1H3,(H,17,18)