O5-methyl O3-prop-2-enyl 1,1,2,6-tetramethyl-4-(3-nitrophenyl)-3-phenyl-2,4-dihydropyridin-1-ium-3,5-dicarboxylate

Systemtic Name: O5-methyl O3-prop-2-enyl 1,1,2,6-tetramethyl-4-(3-nitrophenyl)-3-phenyl-2,4-dihydropyridin-1-ium-3,5-dicarboxylate Openeye Name: O3-allyl O5-methyl 1,1,2,6-tetramethyl-4-(3-nitrophenyl)-3-phenyl-2,4-dihydropyridin-1-ium-3,5-dicarboxylate CAS Name: 1,1,2,6-tetramethyl-4-(3-nitrophenyl)-3-phenyl-2,4-dihydropyridin-1-ium-3,5-dicarboxylic acid O5-methyl ester O3-prop-2-enyl ester IUPAC Name: 5-O-methyl 3-O-prop-2-enyl 1,1,2,6-tetramethyl-4-(3-nitrophenyl)-3-phenyl-2,4-dihydropyridin-1-ium-3,5-dicarboxylate Traditional Name: 1,1,2,6-tetramethyl-4-(3-nitrophenyl)-3-phenyl-2,4-dihydropyridin-1-ium-3,5-dicarboxylic acid O3-allyl ester O5-methyl ester Formula: C27H31N2O6+ MolecularWeight: 479.54484

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=C([N+]1(C)C)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])(C3=CC=CC=C3)C(=O)OCC=C

Isomeric SMILES

CC1C(C(C(=C([N+]1(C)C)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])(C3=CC=CC=C3)C(=O)OCC=C

InChI

InChI=1S/C27H31N2O6/c1-7-16-35-26(31)27(21-13-9-8-10-14-21)19(3)29(4,5)18(2)23(25(30)34-6)24(27)20-12-11-15-22(17-20)28(32)33/h7-15,17,19,24H,1,16H2,2-6H3/q+1