3-[(2,2,3-trimethyl-6-nitro-3-oxidanyl-4H-chromen-4-yl)amino]-1H-pyridazin-6-one

Systemtic Name: 3-[(2,2,3-trimethyl-6-nitro-3-oxidanyl-4H-chromen-4-yl)amino]-1H-pyridazin-6-one Openeye Name: 3-[(3-hydroxy-2,2,3-trimethyl-6-nitro-chroman-4-yl)amino]-1H-pyridazin-6-one CAS Name: 3-[(3-hydroxy-2,2,3-trimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-1H-pyridazin-6-one IUPAC Name: 3-[(3-hydroxy-2,2,3-trimethyl-6-nitro-4H-chromen-4-yl)amino]-1H-pyridazin-6-one Traditional Name: 3-[(3-hydroxy-2,2,3-trimethyl-6-nitro-chroman-4-yl)amino]-1H-pyridazin-6-one Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC3=NNC(=O)C=C3)(C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC3=NNC(=O)C=C3)(C)O)C

InChI

InChI=1S/C16H18N4O5/c1-15(2)16(3,22)14(17-12-6-7-13(21)19-18-12)10-8-9(20(23)24)4-5-11(10)25-15/h4-8,14,22H,1-3H3,(H,17,18)(H,19,21)