3-(4-tert-butylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methoxy]-2-propyl-isoindol-1-one

Systemtic Name: 3-(4-tert-butylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methoxy]-2-propyl-isoindol-1-one Openeye Name: 3-(4-tert-butylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methoxy]-2-propyl-isoindolin-1-one CAS Name: 3-(4-tert-butylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methoxy]-2-propyl-1-isoindolone IUPAC Name: 3-(4-tert-butylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methoxy]-2-propylisoindol-1-one Traditional Name: 3-(4-tert-butylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methoxy]-2-propyl-isoindolin-1-one Formula: C29H30N2O6 MolecularWeight: 502.5583

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C1(C3=CC=C(C=C3)C(C)(C)C)OCC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C1(C3=CC=C(C=C3)C(C)(C)C)OCC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C29H30N2O6/c1-5-14-30-27(32)22-8-6-7-9-23(22)29(30,21-12-10-20(11-13-21)28(2,3)4)37-17-19-15-25-26(36-18-35-25)16-24(19)31(33)34/h6-13,15-16H,5,14,17-18H2,1-4H3