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

Systemtic Name: methyl 4-[[(5-chloranyl-6-oxidanylidene-1H-pyridazin-4-yl)-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methyl-amino]methyl]benzoate CAS Name: 4-[[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]methyl]benzoate Traditional Name: 4-[[(5-chloro-6-keto-1H-pyridazin-4-yl)-methyl-amino]methyl]benzoic acid methyl ester Formula: C14H14ClN3O3 MolecularWeight: 307.73226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C2=C(C(=O)NN=C2)Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C2=C(C(=O)NN=C2)Cl

InChI

InChI=1S/C14H14ClN3O3/c1-18(11-7-16-17-13(19)12(11)15)8-9-3-5-10(6-4-9)14(20)21-2/h3-7H,8H2,1-2H3,(H,17,19)