4-[1-(4-dimethylaminophenyl)-3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4H-pyridin-4-yl]-2-nitro-phenolate

Systemtic Name: 4-[1-(4-dimethylaminophenyl)-3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4H-pyridin-4-yl]-2-nitro-phenolate Openeye Name: 4-[1-(4-dimethylaminophenyl)-3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4H-pyridin-4-yl]-2-nitro-phenolate CAS Name: 4-[1-(4-dimethylaminophenyl)-3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4H-pyridin-4-yl]-2-nitrophenolate IUPAC Name: 4-[1-(4-dimethylaminophenyl)-3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4H-pyridin-4-yl]-2-nitrophenolate Traditional Name: 4-[3,5-dicarbethoxy-1-(4-dimethylaminophenyl)-2,6-dimethyl-4H-pyridin-4-yl]-2-nitro-phenolate Formula: C27H30N3O7- MolecularWeight: 508.543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCC)C)C3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCC)C)C3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C27H31N3O7/c1-7-36-26(32)23-16(3)29(20-12-10-19(11-13-20)28(5)6)17(4)24(27(33)37-8-2)25(23)18-9-14-22(31)21(15-18)30(34)35/h9-15,25,31H,7-8H2,1-6H3/p-1