2-[(4-tert-butylphenyl)-phenyl-methyl]-2-nitro-indene-1,3-dione

Systemtic Name: 2-[(4-tert-butylphenyl)-phenyl-methyl]-2-nitro-indene-1,3-dione Openeye Name: 2-[(4-tert-butylphenyl)-phenyl-methyl]-2-nitro-indane-1,3-dione CAS Name: 2-[(4-tert-butylphenyl)-phenylmethyl]-2-nitroindene-1,3-dione IUPAC Name: 2-[(4-tert-butylphenyl)-phenylmethyl]-2-nitroindene-1,3-dione Traditional Name: 2-[(4-tert-butylphenyl)-phenyl-methyl]-2-nitro-indane-1,3-quinone Formula: C26H23NO4 MolecularWeight: 413.46512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3(C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3(C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C26H23NO4/c1-25(2,3)19-15-13-18(14-16-19)22(17-9-5-4-6-10-17)26(27(30)31)23(28)20-11-7-8-12-21(20)24(26)29/h4-16,22H,1-3H3