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

Systemtic Name: 4-[3,5-bis(methoxycarbonyl)-1-(2-methoxyethyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[3,5-bis(methoxycarbonyl)-1-(2-methoxyethyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[3,5-bis(methoxycarbonyl)-1-(2-methoxyethyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[3,5-bis(methoxycarbonyl)-1-(2-methoxyethyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[3,5-dicarbomethoxy-1-(2-methoxyethyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C20H23N2O9- MolecularWeight: 435.40462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O9/c1-5-31-16-9-12(8-15(18(16)23)22(26)27)17-13(19(24)29-3)10-21(6-7-28-2)11-14(17)20(25)30-4/h8-11,17,23H,5-7H2,1-4H3/p-1