methyl 3-carbamimidoyl-4-(6-chloranylpyridazin-3-yl)benzoate

Systemtic Name: methyl 3-carbamimidoyl-4-(6-chloranylpyridazin-3-yl)benzoate Openeye Name: methyl 3-carbamimidoyl-4-(6-chloropyridazin-3-yl)benzoate CAS Name: 3-carbamimidoyl-4-(6-chloro-3-pyridazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-4-(6-chloropyridazin-3-yl)benzoate Traditional Name: 3-amidino-4-(6-chloropyridazin-3-yl)benzoic acid methyl ester Formula: C13H11ClN4O2 MolecularWeight: 290.70504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN4O2/c1-20-13(19)7-2-3-8(9(6-7)12(15)16)10-4-5-11(14)18-17-10/h2-6H,1H3,(H3,15,16)