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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=CN(C=C2C(=O)OC)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=CN(C=C2C(=O)OC)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H24N2O8/c1-32-20-12-16(11-19(22(20)27)26(30)31)21-17(23(28)33-2)13-25(14-18(21)24(29)34-3)10-9-15-7-5-4-6-8-15/h4-8,11-14,21,27H,9-10H2,1-3H3/p-1