(3E)-3-[(4-tert-butylphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

Systemtic Name: (3E)-3-[(4-tert-butylphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Openeye Name: (3E)-3-[(4-tert-butylphenyl)methylene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one CAS Name: (3E)-3-[(4-tert-butylphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one IUPAC Name: (3E)-3-[(4-tert-butylphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Traditional Name: (3E)-3-(4-tert-butylbenzylidene)-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Formula: C22H21N3O3 MolecularWeight: 375.42044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O3/c1-22(2,3)16-6-4-14(5-7-16)12-15-10-11-24-20(15)23-19-9-8-17(25(27)28)13-18(19)21(24)26/h4-9,12-13H,10-11H2,1-3H3/b15-12+