methyl 3-[[6-oxidanylidene-1-(2-phenoxyethyl)pyridazin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[6-oxidanylidene-1-(2-phenoxyethyl)pyridazin-3-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[6-oxo-1-(2-phenoxyethyl)-3-pyridazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]benzoate Traditional Name: 3-[[6-keto-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]benzoic acid methyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O5/c1-28-21(27)15-6-5-7-16(14-15)22-20(26)18-10-11-19(25)24(23-18)12-13-29-17-8-3-2-4-9-17/h2-11,14H,12-13H2,1H3,(H,22,26)