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

Systemtic Name: 4-[3,5-bis(ethoxycarbonyl)-1-methyl-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[3,5-bis(ethoxycarbonyl)-1-methyl-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[3,5-bis(ethoxycarbonyl)-1-methyl-4H-pyridin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[3,5-bis(ethoxycarbonyl)-1-methyl-4H-pyridin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-(3,5-dicarbethoxy-1-methyl-4H-pyridin-4-yl)-2-methoxy-6-nitro-phenolate Formula: C19H21N2O8- MolecularWeight: 405.37864

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O8/c1-5-28-18(23)12-9-20(3)10-13(19(24)29-6-2)16(12)11-7-14(21(25)26)17(22)15(8-11)27-4/h7-10,16,22H,5-6H2,1-4H3/p-1