2-[3-[[6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-6-oxidanylidene-pyridazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-6-oxidanylidene-pyridazin-1-yl]ethanoic acid Openeye Name: 2-[3-[[6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]-6-oxo-pyridazin-1-yl]acetic acid CAS Name: 2-[3-[[6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]amino]-6-oxo-1-pyridazinyl]acetic acid IUPAC Name: 2-[3-[[6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-4H-chromen-3-yl]amino]-6-oxopyridazin-1-yl]acetic acid Traditional Name: 2-[3-[[6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]-6-keto-pyridazin-1-yl]acetic acid Formula: C20H22N4O7 MolecularWeight: 430.41128

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(CC2=C(O1)C=CC(=C2)C#N)(NC3=NN(C(=O)C=C3)CC(=O)O)O)COC

Isomeric SMILES

COCC1(C(CC2=C(O1)C=CC(=C2)C#N)(NC3=NN(C(=O)C=C3)CC(=O)O)O)COC

InChI

InChI=1S/C20H22N4O7/c1-29-11-19(12-30-2)20(28,8-14-7-13(9-21)3-4-15(14)31-19)22-16-5-6-17(25)24(23-16)10-18(26)27/h3-7,28H,8,10-12H2,1-2H3,(H,22,23)(H,26,27)