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

Systemtic Name: 4-[3,5-bis(methoxycarbonyl)-1-(3-methylphenyl)-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[3,5-bis(methoxycarbonyl)-1-(m-tolyl)-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[3,5-bis(methoxycarbonyl)-1-(3-methylphenyl)-4H-pyridin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[3,5-bis(methoxycarbonyl)-1-(3-methylphenyl)-4H-pyridin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[3,5-dicarbomethoxy-1-(m-tolyl)-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C23H21N2O8- MolecularWeight: 453.42144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H22N2O8/c1-13-6-5-7-15(8-13)24-11-16(22(27)32-3)20(17(12-24)23(28)33-4)14-9-18(25(29)30)21(26)19(10-14)31-2/h5-12,20,26H,1-4H3/p-1