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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylcarbonylamino)-6-oxidanylidene-1-phenyl-pyridazine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxole-5-carbonylamino)-6-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-oxo-1-phenyl-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxole-5-carbonylamino)-6-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 6-keto-1-phenyl-4-(piperonyloylamino)pyridazine-3-carboxylic acid ethyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O6/c1-2-28-21(27)19-15(11-18(25)24(23-19)14-6-4-3-5-7-14)22-20(26)13-8-9-16-17(10-13)30-12-29-16/h3-11H,2,12H2,1H3,(H,22,26)