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

Systemtic Name: 3-[(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]-1H-pyridazin-6-one Openeye Name: 3-[(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)amino]-1H-pyridazin-6-one CAS Name: 3-[(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-1H-pyridazin-6-one IUPAC Name: 3-[(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl)amino]-1H-pyridazin-6-one Traditional Name: 3-[(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)amino]-1H-pyridazin-6-one Formula: C15H16N4O5 MolecularWeight: 332.31134

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O5/c1-15(2)14(21)13(16-11-5-6-12(20)18-17-11)9-7-8(19(22)23)3-4-10(9)24-15/h3-7,13-14,21H,1-2H3,(H,16,17)(H,18,20)