bis[4-nitro-2-[(2E)-penta-2,4-dienyl]-5-phenyl-phenyl] 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis[4-nitro-2-[(2E)-penta-2,4-dienyl]-5-phenyl-phenyl] 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis[4-nitro-2-[(2E)-penta-2,4-dienyl]-5-phenyl-phenyl] 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis[4-nitro-2-[(2E)-penta-2,4-dienyl]-5-phenylphenyl] ester IUPAC Name: bis[4-nitro-2-[(2E)-penta-2,4-dienyl]-5-phenylphenyl] 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis[4-nitro-2-[(2E)-penta-2,4-dienyl]-5-phenyl-phenyl] ester Formula: C43H37N3O8 MolecularWeight: 723.76918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(N1)C)C(=O)OC2=C(C=C(C(=C2)C3=CC=CC=C3)[N+](=O)[O-])CC=CC=C)C(=O)OC4=C(C=C(C(=C4)C5=CC=CC=C5)[N+](=O)[O-])CC=CC=C

Isomeric SMILES

CC1=C(CC(=C(N1)C)C(=O)OC2=C(C=C(C(=C2)C3=CC=CC=C3)[N+](=O)[O-])C/C=C/C=C)C(=O)OC4=C(C=C(C(=C4)C5=CC=CC=C5)[N+](=O)[O-])C/C=C/C=C

InChI

InChI=1S/C43H37N3O8/c1-5-7-11-21-32-23-38(45(49)50)36(30-17-13-9-14-18-30)26-40(32)53-42(47)34-25-35(29(4)44-28(34)3)43(48)54-41-27-37(31-19-15-10-16-20-31)39(46(51)52)24-33(41)22-12-8-6-2/h5-20,23-24,26-27,44H,1-2,21-22,25H2,3-4H3/b11-7+,12-8+