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

Systemtic Name: (3E)-3-[(4-hexoxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Openeye Name: (3E)-3-[(4-hexoxyphenyl)methylene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one CAS Name: (3E)-3-[(4-hexoxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one IUPAC Name: (3E)-3-[(4-hexoxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Traditional Name: (3E)-3-(4-hexoxybenzylidene)-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C2CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O4/c1-2-3-4-5-14-31-20-9-6-17(7-10-20)15-18-12-13-26-23(18)25-22-11-8-19(27(29)30)16-21(22)24(26)28/h6-11,15-16H,2-5,12-14H2,1H3/b18-15+