4-[3,5-bis(methoxycarbonyl)-1-(phenylmethyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitro-phenolate

Systemtic Name: 4-[3,5-bis(methoxycarbonyl)-1-(phenylmethyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[1-benzyl-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[3,5-bis(methoxycarbonyl)-1-(phenylmethyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[1-benzyl-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-(1-benzyl-3,5-dicarbomethoxy-4H-pyridin-4-yl)-2-ethoxy-6-nitro-phenolate Formula: C24H23N2O8- MolecularWeight: 467.44802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=CN(C=C2C(=O)OC)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=CN(C=C2C(=O)OC)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H24N2O8/c1-4-34-20-11-16(10-19(22(20)27)26(30)31)21-17(23(28)32-2)13-25(14-18(21)24(29)33-3)12-15-8-6-5-7-9-15/h5-11,13-14,21,27H,4,12H2,1-3H3/p-1