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

Systemtic Name: (3E)-3-[(4-butoxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Openeye Name: (3E)-3-[(4-butoxyphenyl)methylene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one CAS Name: (3E)-3-[(4-butoxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one IUPAC Name: (3E)-3-[(4-butoxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Traditional Name: (3E)-3-(4-butoxybenzylidene)-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C2CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c1-2-3-12-29-18-7-4-15(5-8-18)13-16-10-11-24-21(16)23-20-9-6-17(25(27)28)14-19(20)22(24)26/h4-9,13-14H,2-3,10-12H2,1H3/b16-13+