2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethyl 2-phenylethanoate

Systemtic Name: 2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethyl 2-phenylethanoate Openeye Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-pyridazin-1-yl]ethyl 2-phenylacetate CAS Name: 2-phenylacetic acid 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-1-pyridazinyl]ethyl ester IUPAC Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl 2-phenylacetate Traditional Name: 2-phenylacetic acid 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-keto-pyridazin-1-yl]ethyl ester Formula: C28H22Cl2N2O4 MolecularWeight: 521.39128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=NN(C1=O)CCOC(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)C1=C(C(=NN(C1=O)CCOC(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H22Cl2N2O4/c1-18(33)25-26(20-7-11-22(29)12-8-20)27(21-9-13-23(30)14-10-21)31-32(28(25)35)15-16-36-24(34)17-19-5-3-2-4-6-19/h2-14H,15-17H2,1H3