methyl 3-[3-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 3-[3-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[3-(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 3-[3-(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 3-[3-(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC(COC2=CC=CC(=C2)C(=O)OC)O)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC(COC2=CC=CC(=C2)C(=O)OC)O)C#N

InChI

InChI=1S/C18H19N3O5/c1-11-12(2)20-21(17(23)16(11)8-19)9-14(22)10-26-15-6-4-5-13(7-15)18(24)25-3/h4-7,14,22H,9-10H2,1-3H3