methyl 3-[(6-azanylpyridazin-3-yl)methyl]benzoate

Systemtic Name: methyl 3-[(6-azanylpyridazin-3-yl)methyl]benzoate Openeye Name: methyl 3-[(6-aminopyridazin-3-yl)methyl]benzoate CAS Name: 3-[(6-amino-3-pyridazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-aminopyridazin-3-yl)methyl]benzoate Traditional Name: 3-[(6-aminopyridazin-3-yl)methyl]benzoic acid methyl ester Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CC2=NN=C(C=C2)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC2=NN=C(C=C2)N

InChI

InChI=1S/C13H13N3O2/c1-18-13(17)10-4-2-3-9(7-10)8-11-5-6-12(14)16-15-11/h2-7H,8H2,1H3,(H2,14,16)