methyl 4-[3-(6-oxidanylidenepyridazin-1-yl)propylcarbamoyl]benzoate

Systemtic Name: methyl 4-[3-(6-oxidanylidenepyridazin-1-yl)propylcarbamoyl]benzoate Openeye Name: methyl 4-[3-(6-oxopyridazin-1-yl)propylcarbamoyl]benzoate CAS Name: 4-[oxo-[3-(6-oxo-1-pyridazinyl)propylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(6-oxopyridazin-1-yl)propylcarbamoyl]benzoate Traditional Name: 4-[3-(6-ketopyridazin-1-yl)propylcarbamoyl]benzoic acid methyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCCN2C(=O)C=CC=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCCN2C(=O)C=CC=N2

InChI

InChI=1S/C16H17N3O4/c1-23-16(22)13-7-5-12(6-8-13)15(21)17-9-3-11-19-14(20)4-2-10-18-19/h2,4-8,10H,3,9,11H2,1H3,(H,17,21)