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

Systemtic Name: 4-[1-(3-chloranyl-4-methyl-phenyl)-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[1-(3-chloro-4-methyl-phenyl)-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[1-(3-chloro-4-methylphenyl)-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[1-(3-chloro-4-methylphenyl)-3,5-bis(methoxycarbonyl)-4H-pyridin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[3,5-dicarbomethoxy-1-(3-chloro-4-methyl-phenyl)-4H-pyridin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C23H20ClN2O8- MolecularWeight: 487.8665

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O8/c1-12-5-6-14(9-17(12)24)25-10-15(22(28)33-3)20(16(11-25)23(29)34-4)13-7-18(26(30)31)21(27)19(8-13)32-2/h5-11,20,27H,1-4H3/p-1