methyl 4-[2-[4-(10,15,20-tripyridin-4-ylporphyrin-5-yl)phenyl]hydrazinyl]benzoate

Systemtic Name: methyl 4-[2-[4-(10,15,20-tripyridin-4-ylporphyrin-5-yl)phenyl]hydrazinyl]benzoate Openeye Name: methyl 4-[2-[4-[10,15,20-tris(4-pyridyl)porphyrin-5-yl]phenyl]hydrazino]benzoate CAS Name: 4-[[4-(10,15,20-tripyridin-4-yl-5-porphyrinyl)phenyl]hydrazo]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(10,15,20-tripyridin-4-ylporphyrin-5-yl)phenyl]hydrazinyl]benzoate Traditional Name: 4-[N'-[4-[10,15,20-tris(4-pyridyl)porphin-5-yl]phenyl]hydrazino]benzoic acid methyl ester Formula: C49H33N9O2 MolecularWeight: 779.84542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NNC2=CC=C(C=C2)C3=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC=NC=C8)C9=CC=NC=C9)C1=CC=NC=C1

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NNC2=CC=C(C=C2)C3=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC=NC=C8)C9=CC=NC=C9)C1=CC=NC=C1

InChI

InChI=1S/C49H33N9O2/c1-60-49(59)34-4-8-36(9-5-34)58-57-35-6-2-30(3-7-35)45-37-10-12-39(53-37)46(31-18-24-50-25-19-31)41-14-16-43(55-41)48(33-22-28-52-29-23-33)44-17-15-42(56-44)47(32-20-26-51-27-21-32)40-13-11-38(45)54-40/h2-29,57-58H,1H3