2-[2,2-dimethyl-3-[[methyl(oxidanyl)amino]methyl]-6-nitro-chromen-4-yl]-3H-isoindol-1-one

Systemtic Name: 2-[2,2-dimethyl-3-[[methyl(oxidanyl)amino]methyl]-6-nitro-chromen-4-yl]-3H-isoindol-1-one Openeye Name: 2-[3-[[hydroxy(methyl)amino]methyl]-2,2-dimethyl-6-nitro-chromen-4-yl]isoindolin-1-one CAS Name: 2-[3-[[hydroxy(methyl)amino]methyl]-2,2-dimethyl-6-nitro-1-benzopyran-4-yl]-3H-isoindol-1-one IUPAC Name: 2-[3-[[hydroxy(methyl)amino]methyl]-2,2-dimethyl-6-nitrochromen-4-yl]-3H-isoindol-1-one Traditional Name: 2-[3-[[hydroxy(methyl)amino]methyl]-2,2-dimethyl-6-nitro-chromen-4-yl]isoindolin-1-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-21(2)17(12-22(3)26)19(16-10-14(24(27)28)8-9-18(16)29-21)23-11-13-6-4-5-7-15(13)20(23)25/h4-10,26H,11-12H2,1-3H3