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

Systemtic Name: 4-[1-[(4-fluorophenyl)methyl]-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[1-[(4-fluorophenyl)methyl]-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[1-[(4-fluorophenyl)methyl]-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[1-[(4-fluorophenyl)methyl]-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[3,5-dicarbomethoxy-1-(4-fluorobenzyl)-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C23H20FN2O8- MolecularWeight: 471.411903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C23H21FN2O8/c1-32-19-9-14(8-18(21(19)27)26(30)31)20-16(22(28)33-2)11-25(12-17(20)23(29)34-3)10-13-4-6-15(24)7-5-13/h4-9,11-12,20,27H,10H2,1-3H3/p-1