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

Systemtic Name: methyl 2-[3-[[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]amino]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[3-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[3-[[3-hydroxy-2,2-bis(methoxymethyl)-1-benzopyran-4-yl]amino]-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[3-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7/c1-27-11-20(12-28-2)19(26)18(13-6-4-5-7-14(13)30-20)21-15-8-9-16(24)23(22-15)10-17(25)29-3/h4-9,26H,10-12H2,1-3H3,(H,21,22)