sodium 2-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-1-yl]ethanoate

Systemtic Name: sodium 2-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-1-yl]ethanoate Openeye Name: sodium 2-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-1-yl]acetate CAS Name: sodium 2-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-1-yl]acetate IUPAC Name: sodium 2-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-1-yl]acetate Traditional Name: sodium 2-[3,5-dicarbethoxy-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-1-yl]acetate Formula: C21H23N2NaO8 MolecularWeight: 454.40569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O8.Na/c1-5-30-20(26)17-12(3)22(11-16(24)25)13(4)18(21(27)31-6-2)19(17)14-8-7-9-15(10-14)23(28)29;/h7-10,19H,5-6,11H2,1-4H3,(H,24,25);/q;+1/p-1