(3E)-3-[(2-bromanyl-4-methoxy-3-oxidanyl-phenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

Systemtic Name: (3E)-3-[(2-bromanyl-4-methoxy-3-oxidanyl-phenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Openeye Name: (3E)-3-[(2-bromo-3-hydroxy-4-methoxy-phenyl)methylene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one CAS Name: (3E)-3-[(2-bromo-3-hydroxy-4-methoxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one IUPAC Name: (3E)-3-[(2-bromo-3-hydroxy-4-methoxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Traditional Name: (3E)-3-(2-bromo-3-hydroxy-4-methoxy-benzylidene)-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Formula: C19H14BrN3O5 MolecularWeight: 444.23556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=C2CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])Br)O

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])Br)O

InChI

InChI=1S/C19H14BrN3O5/c1-28-15-5-2-10(16(20)17(15)24)8-11-6-7-22-18(11)21-14-4-3-12(23(26)27)9-13(14)19(22)25/h2-5,8-9,24H,6-7H2,1H3/b11-8+