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

Systemtic Name: 2-[3-(diethylaminomethyl)-2,2-dimethyl-6-nitro-chromen-4-yl]-3H-isoindol-1-one Openeye Name: 2-[3-(diethylaminomethyl)-2,2-dimethyl-6-nitro-chromen-4-yl]isoindolin-1-one CAS Name: 2-[3-(diethylaminomethyl)-2,2-dimethyl-6-nitro-1-benzopyran-4-yl]-3H-isoindol-1-one IUPAC Name: 2-[3-(diethylaminomethyl)-2,2-dimethyl-6-nitrochromen-4-yl]-3H-isoindol-1-one Traditional Name: 2-[3-(diethylaminomethyl)-2,2-dimethyl-6-nitro-chromen-4-yl]isoindolin-1-one Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCN(CC)CC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O4/c1-5-25(6-2)15-20-22(26-14-16-9-7-8-10-18(16)23(26)28)19-13-17(27(29)30)11-12-21(19)31-24(20,3)4/h7-13H,5-6,14-15H2,1-4H3