ethyl (E)-4-(4-methyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)but-2-enoate

Systemtic Name: ethyl (E)-4-(4-methyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)but-2-enoate Openeye Name: ethyl (E)-4-(4-methyl-7-oxo-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)but-2-enoate CAS Name: (E)-4-(4-methyl-7-oxo-1-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(4-methyl-7-oxo-1-phenylpyrazolo[3,4-d]pyridazin-6-yl)but-2-enoate Traditional Name: (E)-4-(7-keto-4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)but-2-enoic acid ethyl ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCN1C(=O)C2=C(C=NN2C3=CC=CC=C3)C(=N1)C

Isomeric SMILES

CCOC(=O)/C=C/CN1C(=O)C2=C(C=NN2C3=CC=CC=C3)C(=N1)C

InChI

InChI=1S/C18H18N4O3/c1-3-25-16(23)10-7-11-21-18(24)17-15(13(2)20-21)12-19-22(17)14-8-5-4-6-9-14/h4-10,12H,3,11H2,1-2H3/b10-7+