ethyl 6-(benzotriazol-1-yl)-5-methyl-3-oxidanylidene-2-phenyl-pyridazine-4-carboxylate

Systemtic Name: ethyl 6-(benzotriazol-1-yl)-5-methyl-3-oxidanylidene-2-phenyl-pyridazine-4-carboxylate Openeye Name: ethyl 6-(benzotriazol-1-yl)-5-methyl-3-oxo-2-phenyl-pyridazine-4-carboxylate CAS Name: 6-(1-benzotriazolyl)-5-methyl-3-oxo-2-phenyl-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzotriazol-1-yl)-5-methyl-3-oxo-2-phenylpyridazine-4-carboxylate Traditional Name: 6-(benzotriazol-1-yl)-3-keto-5-methyl-2-phenyl-pyridazine-4-carboxylic acid ethyl ester Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN(C1=O)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=NN(C1=O)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C20H17N5O3/c1-3-28-20(27)17-13(2)18(25-16-12-8-7-11-15(16)21-23-25)22-24(19(17)26)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3