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

Systemtic Name: 2-[3-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethyl-6-nitro-chromen-4-yl]-3H-isoindol-1-one Openeye Name: 2-[3-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethyl-6-nitro-chromen-4-yl]isoindolin-1-one CAS Name: 2-[3-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethyl-6-nitro-1-benzopyran-4-yl]-3H-isoindol-1-one IUPAC Name: 2-[3-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethyl-6-nitrochromen-4-yl]-3H-isoindol-1-one Traditional Name: 2-[3-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethyl-6-nitro-chromen-4-yl]isoindolin-1-one Formula: C23H25N3O5 MolecularWeight: 423.4617

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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)CCO)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5/c1-23(2)19(14-24(3)10-11-27)21(18-12-16(26(29)30)8-9-20(18)31-23)25-13-15-6-4-5-7-17(15)22(25)28/h4-9,12,27H,10-11,13-14H2,1-3H3