methyl 3-methyl-4-[[6-oxidanylidene-1-(2-phenoxyethyl)pyridazin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-methyl-4-[[6-oxidanylidene-1-(2-phenoxyethyl)pyridazin-3-yl]carbonylamino]benzoate Openeye Name: methyl 3-methyl-4-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]benzoate CAS Name: 3-methyl-4-[[oxo-[6-oxo-1-(2-phenoxyethyl)-3-pyridazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]benzoate Traditional Name: 4-[[6-keto-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]-3-methyl-benzoic acid methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c1-15-14-16(22(28)29-2)8-9-18(15)23-21(27)19-10-11-20(26)25(24-19)12-13-30-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,27)