6-[[2,2-bis(methoxymethyl)-6-nitro-3-oxidanyl-chromen-4-yl]amino]-2-methyl-pyridazin-3-one

Systemtic Name: 6-[[2,2-bis(methoxymethyl)-6-nitro-3-oxidanyl-chromen-4-yl]amino]-2-methyl-pyridazin-3-one Openeye Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)-6-nitro-chromen-4-yl]amino]-2-methyl-pyridazin-3-one CAS Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)-6-nitro-1-benzopyran-4-yl]amino]-2-methyl-3-pyridazinone IUPAC Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)-6-nitrochromen-4-yl]amino]-2-methylpyridazin-3-one Traditional Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)-6-nitro-chromen-4-yl]amino]-2-methyl-pyridazin-3-one Formula: C18H20N4O7 MolecularWeight: 404.374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)NC2=C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(COC)COC)O

Isomeric SMILES

CN1C(=O)C=CC(=N1)NC2=C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(COC)COC)O

InChI

InChI=1S/C18H20N4O7/c1-21-15(23)7-6-14(20-21)19-16-12-8-11(22(25)26)4-5-13(12)29-18(9-27-2,10-28-3)17(16)24/h4-8,24H,9-10H2,1-3H3,(H,19,20)