2-(2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)-3H-isoindol-1-one

Systemtic Name: 2-(2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)-3H-isoindol-1-one Openeye Name: 2-(3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)isoindolin-1-one CAS Name: 2-(3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)-3H-isoindol-1-one IUPAC Name: 2-(3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-4-yl)-3H-isoindol-1-one Traditional Name: 2-(3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)isoindolin-1-one Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(C=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=C(C=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O)O)C

InChI

InChI=1S/C19H18N2O5/c1-19(2)17(22)16(14-8-7-12(21(24)25)9-15(14)26-19)20-10-11-5-3-4-6-13(11)18(20)23/h3-9,16-17,22H,10H2,1-2H3