4-[3,5-bis(ethoxycarbonyl)-1-[(4-fluorophenyl)methyl]-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[3,5-bis(ethoxycarbonyl)-1-[(4-fluorophenyl)methyl]-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[3,5-bis(ethoxycarbonyl)-1-[(4-fluorophenyl)methyl]-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[3,5-bis(ethoxycarbonyl)-1-[(4-fluorophenyl)methyl]-4H-pyridin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[3,5-bis(ethoxycarbonyl)-1-[(4-fluorophenyl)methyl]-4H-pyridin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[3,5-dicarbethoxy-1-(4-fluorobenzyl)-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C25H24FN2O8- MolecularWeight: 499.465063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C(=O)OCC)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C(=O)OCC)CC3=CC=C(C=C3)F

InChI

InChI=1S/C25H25FN2O8/c1-4-35-24(30)18-13-27(12-15-6-8-17(26)9-7-15)14-19(25(31)36-5-2)22(18)16-10-20(28(32)33)23(29)21(11-16)34-3/h6-11,13-14,22,29H,4-5,12H2,1-3H3/p-1