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

Systemtic Name: 4-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-(3,5-dicarbomethoxy-1-veratryl-4H-pyridin-4-yl)-2-ethoxy-6-nitro-phenolate Formula: C26H27N2O10- MolecularWeight: 527.49998

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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=CC(=C(C=C3)OC)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O10/c1-6-38-22-11-16(10-19(24(22)29)28(32)33)23-17(25(30)36-4)13-27(14-18(23)26(31)37-5)12-15-7-8-20(34-2)21(9-15)35-3/h7-11,13-14,23,29H,6,12H2,1-5H3/p-1