methyl 5-[[(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)amino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H18ClN3O4/c1-27-17-9-8-13(10-15(17)20(26)28-2)11-22-16-12-23-24(19(25)18(16)21)14-6-4-3-5-7-14/h3-10,12,22H,11H2,1-2H3