methyl 2-[5-chloranyl-4-[methyl(2-phenoxyethyl)amino]-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-4-[methyl(2-phenoxyethyl)amino]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[methyl(2-phenoxyethyl)amino]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[methyl(2-phenoxyethyl)amino]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[methyl(2-phenoxyethyl)amino]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-6-keto-4-[methyl(2-phenoxyethyl)amino]pyridazin-1-yl]benzoic acid methyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=CC=C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl

Isomeric SMILES

CN(CCOC1=CC=CC=C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C21H20ClN3O4/c1-24(12-13-29-15-8-4-3-5-9-15)18-14-23-25(20(26)19(18)22)17-11-7-6-10-16(17)21(27)28-2/h3-11,14H,12-13H2,1-2H3