diethyl 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate

Systemtic Name: diethyl 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate Openeye Name: diethyl 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate CAS Name: 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate Traditional Name: 10,15-bis(4-cyanophenyl)-22,24-dihydroporphine-2,3-dicarboxylic acid diethyl ester Formula: C40H28N6O4 MolecularWeight: 656.68812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C#N)C(=O)OCC

InChI

InChI=1S/C40H28N6O4/c1-3-49-39(47)37-33-19-27-13-15-29(43-27)35(25-9-5-23(21-41)6-10-25)31-17-18-32(45-31)36(26-11-7-24(22-42)8-12-26)30-16-14-28(44-30)20-34(46-33)38(37)40(48)50-4-2/h5-20,43-44H,3-4H2,1-2H3