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

Systemtic Name: 2-[2,2-dimethyl-6-nitro-3-[(oxidanylamino)methyl]chromen-4-yl]-3H-isoindol-1-one Openeye Name: 2-[3-[(hydroxyamino)methyl]-2,2-dimethyl-6-nitro-chromen-4-yl]isoindolin-1-one CAS Name: 2-[3-[(hydroxyamino)methyl]-2,2-dimethyl-6-nitro-1-benzopyran-4-yl]-3H-isoindol-1-one IUPAC Name: 2-[3-[(hydroxyamino)methyl]-2,2-dimethyl-6-nitrochromen-4-yl]-3H-isoindol-1-one Traditional Name: 2-[3-[(hydroxyamino)methyl]-2,2-dimethyl-6-nitro-chromen-4-yl]isoindolin-1-one Formula: C20H19N3O5 MolecularWeight: 381.38196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c1-20(2)16(10-21-25)18(15-9-13(23(26)27)7-8-17(15)28-20)22-11-12-5-3-4-6-14(12)19(22)24/h3-9,21,25H,10-11H2,1-2H3