methyl 3-[3-[[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]amino]-6-oxidanylidene-pyridazin-1-yl]propanoate

Systemtic Name: methyl 3-[3-[[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]amino]-6-oxidanylidene-pyridazin-1-yl]propanoate Openeye Name: methyl 3-[3-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-6-oxo-pyridazin-1-yl]propanoate CAS Name: 3-[3-[[3-hydroxy-2,2-bis(methoxymethyl)-1-benzopyran-4-yl]amino]-6-oxo-1-pyridazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-6-oxopyridazin-1-yl]propanoate Traditional Name: 3-[3-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-6-keto-pyridazin-1-yl]propionic acid methyl ester Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(=C(C2=CC=CC=C2O1)NC3=NN(C(=O)C=C3)CCC(=O)OC)O)COC

Isomeric SMILES

COCC1(C(=C(C2=CC=CC=C2O1)NC3=NN(C(=O)C=C3)CCC(=O)OC)O)COC

InChI

InChI=1S/C21H25N3O7/c1-28-12-21(13-29-2)20(27)19(14-6-4-5-7-15(14)31-21)22-16-8-9-17(25)24(23-16)11-10-18(26)30-3/h4-9,27H,10-13H2,1-3H3,(H,22,23)