ethyl 2-[(5-bromanyl-2-oxidanyl-phenyl)methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate

Systemtic Name: ethyl 2-[(5-bromanyl-2-oxidanyl-phenyl)methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-hydroxy-phenyl)methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate CAS Name: 2-[(5-bromo-2-hydroxyphenyl)methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-hydroxyphenyl)methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate Traditional Name: 2-(5-bromo-2-hydroxy-benzyl)-5-(ethylamino)-1H-pyridazine-6-carboxylic acid ethyl ester Formula: C16H20BrN3O3 MolecularWeight: 382.2523

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(NN(C=C1)CC2=C(C=CC(=C2)Br)O)C(=O)OCC

Isomeric SMILES

CCNC1=C(NN(C=C1)CC2=C(C=CC(=C2)Br)O)C(=O)OCC

InChI

InChI=1S/C16H20BrN3O3/c1-3-18-13-7-8-20(19-15(13)16(22)23-4-2)10-11-9-12(17)5-6-14(11)21/h5-9,18-19,21H,3-4,10H2,1-2H3