O3-but-3-enyl O5-methyl 4-(4-cyanophenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1H-pyridine-3,5-dicarboxylate

Systemtic Name: O3-but-3-enyl O5-methyl 4-(4-cyanophenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1H-pyridine-3,5-dicarboxylate Openeye Name: O3-but-3-enyl O5-methyl 4-(4-cyanophenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1H-pyridine-3,5-dicarboxylate CAS Name: 4-(4-cyanophenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1H-pyridine-3,5-dicarboxylic acid O3-but-3-enyl ester O5-methyl ester IUPAC Name: 3-O-but-3-enyl 5-O-methyl 4-(4-cyanophenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1H-pyridine-3,5-dicarboxylate Traditional Name: 4-(4-cyanophenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1H-pyridine-3,5-dicarboxylic acid O3-but-3-enyl ester O5-methyl ester Formula: C27H25N3O6 MolecularWeight: 487.5039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCC=C)(C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCC=C)(C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H25N3O6/c1-5-6-14-36-26(32)24-18(3)29-17(2)23(25(31)35-4)27(24,20-12-10-19(16-28)11-13-20)21-8-7-9-22(15-21)30(33)34/h5,7-13,15,29H,1,6,14H2,2-4H3