phenanthridin-6-ylmethyl 2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: phenanthridin-6-ylmethyl 2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: phenanthridin-6-ylmethyl 2-(4,5-dichloro-6-oxo-pyridazin-1-yl)benzoate CAS Name: 2-(4,5-dichloro-6-oxo-1-pyridazinyl)benzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate Traditional Name: 2-(4,5-dichloro-6-keto-pyridazin-1-yl)benzoic acid phenanthridin-6-ylmethyl ester Formula: C25H15Cl2N3O3 MolecularWeight: 476.3109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)C4=CC=CC=C4N5C(=O)C(=C(C=N5)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)C4=CC=CC=C4N5C(=O)C(=C(C=N5)Cl)Cl

InChI

InChI=1S/C25H15Cl2N3O3/c26-19-13-28-30(24(31)23(19)27)22-12-6-4-10-18(22)25(32)33-14-21-17-9-2-1-7-15(17)16-8-3-5-11-20(16)29-21/h1-13H,14H2