methyl 2-[2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(4,5-dichloro-6-oxo-pyridazin-1-yl)acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-(4,5-dichloro-6-oxo-1-pyridazinyl)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-(4,5-dichloro-6-keto-pyridazin-1-yl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C13H17Cl2N3O4 MolecularWeight: 350.19778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1C(=O)C(=C(C=N1)Cl)Cl

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CN1C(=O)C(=C(C=N1)Cl)Cl

InChI

InChI=1S/C13H17Cl2N3O4/c1-4-7(2)11(13(21)22-3)17-9(19)6-18-12(20)10(15)8(14)5-16-18/h5,7,11H,4,6H2,1-3H3,(H,17,19)