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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-(3,5-dicarbomethoxy-1-piperonyl-4H-pyridin-4-yl)-2-ethoxy-6-nitro-phenolate Formula: C25H23N2O10- MolecularWeight: 511.45752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=CN(C=C2C(=O)OC)CC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=CN(C=C2C(=O)OC)CC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C25H24N2O10/c1-4-35-21-9-15(8-18(23(21)28)27(31)32)22-16(24(29)33-2)11-26(12-17(22)25(30)34-3)10-14-5-6-19-20(7-14)37-13-36-19/h5-9,11-12,22,28H,4,10,13H2,1-3H3/p-1