ethyl 4-(1,3-benzodioxol-5-ylcarbonylamino)-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylcarbonylamino)-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxole-5-carbonylamino)-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(2-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxole-5-carbonylamino)-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 6-keto-1-(o-tolyl)-4-(piperonyloylamino)pyridazine-3-carboxylic acid ethyl ester Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C

InChI

InChI=1S/C22H19N3O6/c1-3-29-22(28)20-15(11-19(26)25(24-20)16-7-5-4-6-13(16)2)23-21(27)14-8-9-17-18(10-14)31-12-30-17/h4-11H,3,12H2,1-2H3,(H,23,27)