3-(4-tert-butylphenyl)-3-[(4-methyl-3,5-dinitro-phenyl)methoxy]-2-propyl-isoindol-1-one

Systemtic Name: 3-(4-tert-butylphenyl)-3-[(4-methyl-3,5-dinitro-phenyl)methoxy]-2-propyl-isoindol-1-one Openeye Name: 3-(4-tert-butylphenyl)-3-[(4-methyl-3,5-dinitro-phenyl)methoxy]-2-propyl-isoindolin-1-one CAS Name: 3-(4-tert-butylphenyl)-3-[(4-methyl-3,5-dinitrophenyl)methoxy]-2-propyl-1-isoindolone IUPAC Name: 3-(4-tert-butylphenyl)-3-[(4-methyl-3,5-dinitrophenyl)methoxy]-2-propylisoindol-1-one Traditional Name: 3-(4-tert-butylphenyl)-3-(4-methyl-3,5-dinitro-benzyl)oxy-2-propyl-isoindolin-1-one Formula: C29H31N3O6 MolecularWeight: 517.57294

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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=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O6/c1-6-15-30-27(33)23-9-7-8-10-24(23)29(30,22-13-11-21(12-14-22)28(3,4)5)38-18-20-16-25(31(34)35)19(2)26(17-20)32(36)37/h7-14,16-17H,6,15,18H2,1-5H3