2-[5-chloranyl-6-oxidanylidene-4-(4-phenylmethoxycarbonylpiperazin-1-yl)pyridazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-6-oxidanylidene-4-(4-phenylmethoxycarbonylpiperazin-1-yl)pyridazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-benzyloxycarbonylpiperazin-1-yl)-5-chloro-6-oxo-pyridazin-1-yl]acetic acid CAS Name: 2-[5-chloro-6-oxo-4-(4-phenylmethoxycarbonyl-1-piperazinyl)-1-pyridazinyl]acetic acid IUPAC Name: 2-[5-chloro-6-oxo-4-(4-phenylmethoxycarbonylpiperazin-1-yl)pyridazin-1-yl]acetic acid Traditional Name: 2-[4-(4-carbobenzoxypiperazino)-5-chloro-6-keto-pyridazin-1-yl]acetic acid Formula: C18H19ClN4O5 MolecularWeight: 406.82026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)CC(=O)O)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)CC(=O)O)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H19ClN4O5/c19-16-14(10-20-23(17(16)26)11-15(24)25)21-6-8-22(9-7-21)18(27)28-12-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H,24,25)