dimethyl (2Z,4Z)-2-(4-azanyl-5-chloranyl-6-oxidanylidene-pyridazin-1-yl)hexa-2,4-dienedioate

Systemtic Name: dimethyl (2Z,4Z)-2-(4-azanyl-5-chloranyl-6-oxidanylidene-pyridazin-1-yl)hexa-2,4-dienedioate Openeye Name: dimethyl (2Z,4Z)-2-(4-amino-5-chloro-6-oxo-pyridazin-1-yl)hexa-2,4-dienedioate CAS Name: (2Z,4Z)-2-(4-amino-5-chloro-6-oxo-1-pyridazinyl)hexa-2,4-dienedioic acid dimethyl ester IUPAC Name: dimethyl (2Z,4Z)-2-(4-amino-5-chloro-6-oxopyridazin-1-yl)hexa-2,4-dienedioate Traditional Name: (2Z,4Z)-2-(4-amino-5-chloro-6-keto-pyridazin-1-yl)muconic acid dimethyl ester Formula: C12H12ClN3O5 MolecularWeight: 313.69378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC=C(C(=O)OC)N1C(=O)C(=C(C=N1)N)Cl

Isomeric SMILES

COC(=O)/C=C\C=C(\C(=O)OC)/N1C(=O)C(=C(C=N1)N)Cl

InChI

InChI=1S/C12H12ClN3O5/c1-20-9(17)5-3-4-8(12(19)21-2)16-11(18)10(13)7(14)6-15-16/h3-6H,14H2,1-2H3/b5-3-,8-4-