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

Systemtic Name: O3-but-3-enyl O5-methyl 1,1,2,6-tetramethyl-4-(3-nitrophenyl)-4-phenyl-pyridin-1-ium-3,5-dicarboxylate Openeye Name: O3-but-3-enyl O5-methyl 1,1,2,6-tetramethyl-4-(3-nitrophenyl)-4-phenyl-pyridin-1-ium-3,5-dicarboxylate CAS Name: 1,1,2,6-tetramethyl-4-(3-nitrophenyl)-4-phenylpyridin-1-ium-3,5-dicarboxylic acid O3-but-3-enyl ester O5-methyl ester IUPAC Name: 3-O-but-3-enyl 5-O-methyl 1,1,2,6-tetramethyl-4-(3-nitrophenyl)-4-phenylpyridin-1-ium-3,5-dicarboxylate Traditional Name: 1,1,2,6-tetramethyl-4-(3-nitrophenyl)-4-phenyl-pyridin-1-ium-3,5-dicarboxylic acid O3-but-3-enyl ester O5-methyl ester Formula: C28H31N2O6+ MolecularWeight: 491.55554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C([N+]1(C)C)C)C(=O)OCCC=C)(C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C([N+]1(C)C)C)C(=O)OCCC=C)(C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C28H31N2O6/c1-7-8-17-36-27(32)25-20(3)30(4,5)19(2)24(26(31)35-6)28(25,21-13-10-9-11-14-21)22-15-12-16-23(18-22)29(33)34/h7,9-16,18H,1,8,17H2,2-6H3/q+1