ethyl 1-(3,4-dimethylphenyl)-5-ethynyl-4-methyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(3,4-dimethylphenyl)-5-ethynyl-4-methyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(3,4-dimethylphenyl)-5-ethynyl-4-methyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(3,4-dimethylphenyl)-5-ethynyl-4-methyl-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,4-dimethylphenyl)-5-ethynyl-4-methyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)-5-ethynyl-6-keto-4-methyl-pyridazine-3-carboxylic acid ethyl ester Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C(=C1C)C#C)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C(=C1C)C#C)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C18H18N2O3/c1-6-15-13(5)16(18(22)23-7-2)19-20(17(15)21)14-9-8-11(3)12(4)10-14/h1,8-10H,7H2,2-5H3