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

Systemtic Name: 2-[3-(ethylaminomethyl)-2,2-dimethyl-6-nitro-chromen-4-yl]-3H-isoindol-1-one Openeye Name: 2-[3-(ethylaminomethyl)-2,2-dimethyl-6-nitro-chromen-4-yl]isoindolin-1-one CAS Name: 2-[3-(ethylaminomethyl)-2,2-dimethyl-6-nitro-1-benzopyran-4-yl]-3H-isoindol-1-one IUPAC Name: 2-[3-(ethylaminomethyl)-2,2-dimethyl-6-nitrochromen-4-yl]-3H-isoindol-1-one Traditional Name: 2-[3-(ethylaminomethyl)-2,2-dimethyl-6-nitro-chromen-4-yl]isoindolin-1-one Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCNCC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O4/c1-4-23-12-18-20(24-13-14-7-5-6-8-16(14)21(24)26)17-11-15(25(27)28)9-10-19(17)29-22(18,2)3/h5-11,23H,4,12-13H2,1-3H3